Zn3In2O6 is Aluminum carbonitride-like structured and crystallizes in the triclinic P1 space group. There are twelve inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(2), one O(21), one O(3), and one O(9) atom to form ZnO4 tetrahedra that share  a cornercorner with one In(1)O6 octahedra,  a cornercorner with one In(3)O6 octahedra,  a cornercorner with one In(5)O6 octahedra,  a cornercorner with one Zn(11)O4 tetrahedra, corners with two equivalent Zn(3)O4 tetrahedra, corners with two equivalent Zn(6)O4 tetrahedra, corners with two equivalent Zn(9)O4 tetrahedra,  a cornercorner with one In(2)O5 trigonal bipyramid, and  a cornercorner with one In(6)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 61-62°. In the second Zn site, Zn(2) is bonded to one O(1), one O(11), one O(23), one O(4), and one O(5) atom to form distorted ZnO5 trigonal bipyramids that share  a cornercorner with one Zn(11)O4 tetrahedra,  a cornercorner with one Zn(12)O4 tetrahedra,  a cornercorner with one Zn(5)O4 tetrahedra,  a cornercorner with one In(4)O4 tetrahedra, corners with two equivalent Zn(10)O5 trigonal bipyramids, corners with two equivalent Zn(4)O5 trigonal bipyramids, corners with two equivalent In(7)O5 trigonal bipyramids,  an edgeedge with one In(2)O5 trigonal bipyramid, and  an edgeedge with one In(6)O5 trigonal bipyramid. In the third Zn site, Zn(3) is bonded to one O(16), one O(3), one O(8), and one O(9) atom to form ZnO4 tetrahedra that share  a cornercorner with one In(3)O6 octahedra,  a cornercorner with one In(5)O6 octahedra,  a cornercorner with one In(8)O6 octahedra,  a cornercorner with one Zn(7)O4 tetrahedra, corners with two equivalent Zn(1)O4 tetrahedra, corners with two equivalent Zn(6)O4 tetrahedra, corners with two equivalent Zn(9)O4 tetrahedra,  a cornercorner with one In(2)O5 trigonal bipyramid, and  a cornercorner with one In(6)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 60-62°. In the fourth Zn site, Zn(4) is bonded to one O(10), one O(11), one O(18), one O(5), and one O(7) atom to form distorted ZnO5 trigonal bipyramids that share  a cornercorner with one Zn(5)O4 tetrahedra,  a cornercorner with one Zn(7)O4 tetrahedra,  a cornercorner with one Zn(8)O4 tetrahedra,  a cornercorner with one In(4)O4 tetrahedra, corners with two equivalent Zn(10)O5 trigonal bipyramids, corners with two equivalent Zn(2)O5 trigonal bipyramids, corners with two equivalent In(7)O5 trigonal bipyramids,  an edgeedge with one In(2)O5 trigonal bipyramid, and  an edgeedge with one In(6)O5 trigonal bipyramid. In the fifth Zn site, Zn(5) is bonded to one O(10), one O(12), one O(15), and one O(4) atom to form ZnO4 tetrahedra that share  a cornercorner with one In(1)O6 octahedra,  a cornercorner with one In(3)O6 octahedra,  a cornercorner with one In(5)O6 octahedra, corners with two equivalent Zn(12)O4 tetrahedra, corners with two equivalent Zn(8)O4 tetrahedra, corners with two equivalent In(4)O4 tetrahedra,  a cornercorner with one Zn(2)O5 trigonal bipyramid,  a cornercorner with one Zn(4)O5 trigonal bipyramid, and  a cornercorner with one In(7)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 60-63°. In the sixth Zn site, Zn(6) is bonded to one O(14), one O(16), one O(21), and one O(9) atom to form ZnO4 tetrahedra that share  a cornercorner with one In(1)O6 octahedra,  a cornercorner with one In(5)O6 octahedra,  a cornercorner with one In(8)O6 octahedra,  a cornercorner with one Zn(11)O4 tetrahedra,  a cornercorner with one Zn(7)O4 tetrahedra, corners with two equivalent Zn(1)O4 tetrahedra, corners with two equivalent Zn(3)O4 tetrahedra, corners with two equivalent Zn(9)O4 tetrahedra, and  a cornercorner with one In(6)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 61-63°. In the seventh Zn site, Zn(7) is bonded to one O(13), one O(16), one O(19), and one O(7) atom to form ZnO4 tetrahedra that share  a cornercorner with one Zn(3)O4 tetrahedra,  a cornercorner with one Zn(6)O4 tetrahedra,  a cornercorner with one Zn(9)O4 tetrahedra, corners with two equivalent Zn(11)O4 tetrahedra,  a cornercorner with one Zn(10)O5 trigonal bipyramid,  a cornercorner with one Zn(4)O5 trigonal bipyramid,  a cornercorner with one In(7)O5 trigonal bipyramid, corners with two equivalent In(2)O5 trigonal bipyramids, and corners with two equivalent In(6)O5 trigonal bipyramids. In the eighth Zn site, Zn(8) is bonded to one O(10), one O(15), one O(17), and one O(22) atom to form ZnO4 tetrahedra that share  a cornercorner with one In(3)O6 octahedra,  a cornercorner with one In(5)O6 octahedra,  a cornercorner with one In(8)O6 octahedra, corners with two equivalent Zn(12)O4 tetrahedra, corners with two equivalent Zn(5)O4 tetrahedra, corners with two equivalent In(4)O4 tetrahedra,  a cornercorner with one Zn(10)O5 trigonal bipyramid,  a cornercorner with one Zn(4)O5 trigonal bipyramid, and  a cornercorner with one In(7)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 61-62°. In the ninth Zn site, Zn(9) is bonded to one O(16), one O(20), one O(21), and one O(3) atom to form ZnO4 tetrahedra that share  a cornercorner with one In(1)O6 octahedra,  a cornercorner with one In(3)O6 octahedra,  a cornercorner with one In(8)O6 octahedra,  a cornercorner with one Zn(11)O4 tetrahedra,  a cornercorner with one Zn(7)O4 tetrahedra, corners with two equivalent Zn(1)O4 tetrahedra, corners with two equivalent Zn(3)O4 tetrahedra, corners with two equivalent Zn(6)O4 tetrahedra, and  a cornercorner with one In(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 61-63°. In the tenth Zn site, Zn(10) is bonded to one O(18), one O(19), one O(22), one O(23), and one O(5) atom to form ZnO5 trigonal bipyramids that share  a cornercorner with one Zn(11)O4 tetrahedra,  a cornercorner with one Zn(12)O4 tetrahedra,  a cornercorner with one Zn(7)O4 tetrahedra,  a cornercorner with one Zn(8)O4 tetrahedra,  a cornercorner with one In(4)O4 tetrahedra, corners with two equivalent Zn(2)O5 trigonal bipyramids, corners with two equivalent Zn(4)O5 trigonal bipyramids, corners with two equivalent In(7)O5 trigonal bipyramids, and  an edgeedge with one In(2)O5 trigonal bipyramid. In the eleventh Zn site, Zn(11) is bonded to one O(1), one O(13), one O(19), and one O(21) atom to form ZnO4 tetrahedra that share  a cornercorner with one Zn(1)O4 tetrahedra,  a cornercorner with one Zn(6)O4 tetrahedra,  a cornercorner with one Zn(9)O4 tetrahedra, corners with two equivalent Zn(7)O4 tetrahedra,  a cornercorner with one Zn(10)O5 trigonal bipyramid,  a cornercorner with one Zn(2)O5 trigonal bipyramid,  a cornercorner with one In(7)O5 trigonal bipyramid, corners with two equivalent In(2)O5 trigonal bipyramids, and corners with two equivalent In(6)O5 trigonal bipyramids. In the twelfth Zn site, Zn(12) is bonded to one O(15), one O(22), one O(24), and one O(4) atom to form ZnO4 tetrahedra that share  a cornercorner with one In(1)O6 octahedra,  a cornercorner with one In(5)O6 octahedra,  a cornercorner with one In(8)O6 octahedra, corners with two equivalent Zn(5)O4 tetrahedra, corners with two equivalent Zn(8)O4 tetrahedra, corners with two equivalent In(4)O4 tetrahedra,  a cornercorner with one Zn(10)O5 trigonal bipyramid,  a cornercorner with one Zn(2)O5 trigonal bipyramid, and  a cornercorner with one In(7)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 60-62°. There are eight inequivalent In sites. In the first In site, In(1) is bonded to one O(12), one O(14), one O(2), one O(20), one O(24), and one O(6) atom to form InO6 octahedra that share  a cornercorner with one Zn(1)O4 tetrahedra,  a cornercorner with one Zn(12)O4 tetrahedra,  a cornercorner with one Zn(5)O4 tetrahedra,  a cornercorner with one Zn(6)O4 tetrahedra,  a cornercorner with one Zn(9)O4 tetrahedra,  a cornercorner with one In(4)O4 tetrahedra, edges with two equivalent In(3)O6 octahedra, edges with two equivalent In(5)O6 octahedra, and edges with two equivalent In(8)O6 octahedra. In the second In site, In(2) is bonded to one O(1), one O(19), one O(3), one O(5), and one O(7) atom to form InO5 trigonal bipyramids that share  a cornercorner with one Zn(1)O4 tetrahedra,  a cornercorner with one Zn(3)O4 tetrahedra,  a cornercorner with one Zn(9)O4 tetrahedra, corners with two equivalent Zn(11)O4 tetrahedra, corners with two equivalent Zn(7)O4 tetrahedra, corners with two equivalent In(6)O5 trigonal bipyramids,  an edgeedge with one Zn(10)O5 trigonal bipyramid,  an edgeedge with one Zn(2)O5 trigonal bipyramid, and  an edgeedge with one Zn(4)O5 trigonal bipyramid. In the third In site, In(3) is bonded to one O(12), one O(17), one O(2), one O(20), one O(6), and one O(8) atom to form InO6 octahedra that share  a cornercorner with one Zn(1)O4 tetrahedra,  a cornercorner with one Zn(3)O4 tetrahedra,  a cornercorner with one Zn(5)O4 tetrahedra,  a cornercorner with one Zn(8)O4 tetrahedra,  a cornercorner with one Zn(9)O4 tetrahedra,  a cornercorner with one In(4)O4 tetrahedra, edges with two equivalent In(1)O6 octahedra, edges with two equivalent In(5)O6 octahedra, and edges with two equivalent In(8)O6 octahedra. In the fourth In site, In(4) is bonded to one O(10), one O(22), one O(4), and one O(6) atom to form distorted InO4 tetrahedra that share  a cornercorner with one In(1)O6 octahedra,  a cornercorner with one In(3)O6 octahedra,  a cornercorner with one In(8)O6 octahedra, corners with two equivalent Zn(12)O4 tetrahedra, corners with two equivalent Zn(5)O4 tetrahedra, corners with two equivalent Zn(8)O4 tetrahedra,  a cornercorner with one Zn(10)O5 trigonal bipyramid,  a cornercorner with one Zn(2)O5 trigonal bipyramid, and  a cornercorner with one Zn(4)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 61-62°. In the fifth In site, In(5) is bonded to one O(12), one O(14), one O(17), one O(2), one O(24), and one O(8) atom to form InO6 octahedra that share  a cornercorner with one Zn(1)O4 tetrahedra,  a cornercorner with one Zn(12)O4 tetrahedra,  a cornercorner with one Zn(3)O4 tetrahedra,  a cornercorner with one Zn(5)O4 tetrahedra,  a cornercorner with one Zn(6)O4 tetrahedra,  a cornercorner with one Zn(8)O4 tetrahedra, edges with two equivalent In(1)O6 octahedra, edges with two equivalent In(3)O6 octahedra, and edges with two equivalent In(8)O6 octahedra. In the sixth In site, In(6) is bonded to one O(1), one O(11), one O(13), one O(7), and one O(9) atom to form InO5 trigonal bipyramids that share  a cornercorner with one Zn(1)O4 tetrahedra,  a cornercorner with one Zn(3)O4 tetrahedra,  a cornercorner with one Zn(6)O4 tetrahedra, corners with two equivalent Zn(11)O4 tetrahedra, corners with two equivalent Zn(7)O4 tetrahedra, corners with two equivalent In(2)O5 trigonal bipyramids,  an edgeedge with one Zn(2)O5 trigonal bipyramid,  an edgeedge with one Zn(4)O5 trigonal bipyramid, and  an edgeedge with one In(7)O5 trigonal bipyramid. In the seventh In site, In(7) is bonded to one O(11), one O(13), one O(15), one O(18), and one O(23) atom to form InO5 trigonal bipyramids that share  a cornercorner with one Zn(11)O4 tetrahedra,  a cornercorner with one Zn(12)O4 tetrahedra,  a cornercorner with one Zn(5)O4 tetrahedra,  a cornercorner with one Zn(7)O4 tetrahedra,  a cornercorner with one Zn(8)O4 tetrahedra, corners with two equivalent Zn(10)O5 trigonal bipyramids, corners with two equivalent Zn(2)O5 trigonal bipyramids, corners with two equivalent Zn(4)O5 trigonal bipyramids, and  an edgeedge with one In(6)O5 trigonal bipyramid. In the eighth In site, In(8) is bonded to one O(14), one O(17), one O(20), one O(24), one O(6), and one O(8) atom to form InO6 octahedra that share  a cornercorner with one Zn(12)O4 tetrahedra,  a cornercorner with one Zn(3)O4 tetrahedra,  a cornercorner with one Zn(6)O4 tetrahedra,  a cornercorner with one Zn(8)O4 tetrahedra,  a cornercorner with one Zn(9)O4 tetrahedra,  a cornercorner with one In(4)O4 tetrahedra, edges with two equivalent In(1)O6 octahedra, edges with two equivalent In(3)O6 octahedra, and edges with two equivalent In(5)O6 octahedra. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded to one Zn(11), one Zn(2), one In(2), and one In(6) atom to form distorted OZn2In2 trigonal pyramids that share  a cornercorner with one O(3)Zn3In tetrahedra,  a cornercorner with one O(4)Zn3In tetrahedra,  a cornercorner with one O(9)Zn3In tetrahedra,  a cornercorner with one O(21)Zn4 tetrahedra, corners with two equivalent O(13)Zn2In2 tetrahedra, corners with two equivalent O(19)Zn3In tetrahedra, corners with two equivalent O(7)Zn2In2 trigonal pyramids,  an edgeedge with one O(11)Zn2In2 tetrahedra, and  an edgeedge with one O(5)Zn3In trigonal pyramid. In the second O site, O(2) is bonded to one Zn(1), one In(1), one In(3), and one In(5) atom to form distorted OZnIn3 tetrahedra that share  a cornercorner with one O(3)Zn3In tetrahedra,  a cornercorner with one O(9)Zn3In tetrahedra,  a cornercorner with one O(21)Zn4 tetrahedra,  a cornercorner with one O(12)ZnIn3 tetrahedra, corners with two equivalent O(14)ZnIn3 tetrahedra, corners with two equivalent O(20)ZnIn3 tetrahedra, corners with two equivalent O(24)ZnIn3 tetrahedra, corners with two equivalent O(8)ZnIn3 tetrahedra,  an edgeedge with one O(6)In4 tetrahedra,  an edgeedge with one O(12)ZnIn3 tetrahedra, and  an edgeedge with one O(17)ZnIn3 tetrahedra. In the third O site, O(3) is bonded to one Zn(1), one Zn(3), one Zn(9), and one In(2) atom to form OZn3In tetrahedra that share  a cornercorner with one O(19)Zn3In tetrahedra,  a cornercorner with one O(2)ZnIn3 tetrahedra,  a cornercorner with one O(20)ZnIn3 tetrahedra,  a cornercorner with one O(8)ZnIn3 tetrahedra, corners with two equivalent O(9)Zn3In tetrahedra, corners with two equivalent O(16)Zn4 tetrahedra, corners with two equivalent O(21)Zn4 tetrahedra,  a cornercorner with one O(1)Zn2In2 trigonal pyramid,  a cornercorner with one O(7)Zn2In2 trigonal pyramid, and  a cornercorner with one O(5)Zn3In trigonal pyramid. In the fourth O site, O(4) is bonded to one Zn(12), one Zn(2), one Zn(5), and one In(4) atom to form OZn3In tetrahedra that share  a cornercorner with one O(6)In4 tetrahedra,  a cornercorner with one O(11)Zn2In2 tetrahedra,  a cornercorner with one O(12)ZnIn3 tetrahedra,  a cornercorner with one O(24)ZnIn3 tetrahedra, corners with two equivalent O(10)Zn3In tetrahedra, corners with two equivalent O(15)Zn3In tetrahedra, corners with two equivalent O(22)Zn3In tetrahedra,  a cornercorner with one O(1)Zn2In2 trigonal pyramid, and  a cornercorner with one O(5)Zn3In trigonal pyramid. In the fifth O site, O(5) is bonded to one Zn(10), one Zn(2), one Zn(4), and one In(2) atom to form distorted OZn3In trigonal pyramids that share  a cornercorner with one O(10)Zn3In tetrahedra,  a cornercorner with one O(22)Zn3In tetrahedra,  a cornercorner with one O(3)Zn3In tetrahedra,  a cornercorner with one O(4)Zn3In tetrahedra, corners with two equivalent O(11)Zn2In2 tetrahedra,  an edgeedge with one O(19)Zn3In tetrahedra,  an edgeedge with one O(1)Zn2In2 trigonal pyramid, and  an edgeedge with one O(7)Zn2In2 trigonal pyramid. In the sixth O site, O(6) is bonded to one In(1), one In(3), one In(4), and one In(8) atom to form distorted OIn4 tetrahedra that share  a cornercorner with one O(10)Zn3In tetrahedra,  a cornercorner with one O(22)Zn3In tetrahedra,  a cornercorner with one O(4)Zn3In tetrahedra,  a cornercorner with one O(20)ZnIn3 tetrahedra, corners with two equivalent O(12)ZnIn3 tetrahedra, corners with two equivalent O(17)ZnIn3 tetrahedra, corners with two equivalent O(24)ZnIn3 tetrahedra, corners with two equivalent O(8)ZnIn3 tetrahedra,  an edgeedge with one O(14)ZnIn3 tetrahedra,  an edgeedge with one O(2)ZnIn3 tetrahedra, and  an edgeedge with one O(20)ZnIn3 tetrahedra. In the seventh O site, O(7) is bonded to one Zn(4), one Zn(7), one In(2), and one In(6) atom to form distorted OZn2In2 trigonal pyramids that share  a cornercorner with one O(10)Zn3In tetrahedra,  a cornercorner with one O(3)Zn3In tetrahedra,  a cornercorner with one O(9)Zn3In tetrahedra,  a cornercorner with one O(16)Zn4 tetrahedra, corners with two equivalent O(13)Zn2In2 tetrahedra, corners with two equivalent O(19)Zn3In tetrahedra, corners with two equivalent O(1)Zn2In2 trigonal pyramids,  an edgeedge with one O(11)Zn2In2 tetrahedra, and  an edgeedge with one O(5)Zn3In trigonal pyramid. In the eighth O site, O(8) is bonded to one Zn(3), one In(3), one In(5), and one In(8) atom to form distorted OZnIn3 tetrahedra that share  a cornercorner with one O(3)Zn3In tetrahedra,  a cornercorner with one O(9)Zn3In tetrahedra,  a cornercorner with one O(16)Zn4 tetrahedra,  a cornercorner with one O(17)ZnIn3 tetrahedra, corners with two equivalent O(6)In4 tetrahedra, corners with two equivalent O(14)ZnIn3 tetrahedra, corners with two equivalent O(2)ZnIn3 tetrahedra, corners with two equivalent O(20)ZnIn3 tetrahedra,  an edgeedge with one O(12)ZnIn3 tetrahedra,  an edgeedge with one O(17)ZnIn3 tetrahedra, and  an edgeedge with one O(24)ZnIn3 tetrahedra. In the ninth O site, O(9) is bonded to one Zn(1), one Zn(3), one Zn(6), and one In(6) atom to form OZn3In tetrahedra that share  a cornercorner with one O(11)Zn2In2 tetrahedra,  a cornercorner with one O(13)Zn2In2 tetrahedra,  a cornercorner with one O(14)ZnIn3 tetrahedra,  a cornercorner with one O(2)ZnIn3 tetrahedra,  a cornercorner with one O(8)ZnIn3 tetrahedra, corners with two equivalent O(3)Zn3In tetrahedra, corners with two equivalent O(16)Zn4 tetrahedra, corners with two equivalent O(21)Zn4 tetrahedra,  a cornercorner with one O(1)Zn2In2 trigonal pyramid, and  a cornercorner with one O(7)Zn2In2 trigonal pyramid. In the tenth O site, O(10) is bonded to one Zn(4), one Zn(5), one Zn(8), and one In(4) atom to form OZn3In tetrahedra that share  a cornercorner with one O(6)In4 tetrahedra,  a cornercorner with one O(11)Zn2In2 tetrahedra,  a cornercorner with one O(12)ZnIn3 tetrahedra,  a cornercorner with one O(17)ZnIn3 tetrahedra, corners with two equivalent O(15)Zn3In tetrahedra, corners with two equivalent O(22)Zn3In tetrahedra, corners with two equivalent O(4)Zn3In tetrahedra,  a cornercorner with one O(7)Zn2In2 trigonal pyramid, and  a cornercorner with one O(5)Zn3In trigonal pyramid. In the eleventh O site, O(11) is bonded to one Zn(2), one Zn(4), one In(6), and one In(7) atom to form distorted OZn2In2 tetrahedra that share  a cornercorner with one O(10)Zn3In tetrahedra,  a cornercorner with one O(15)Zn3In tetrahedra,  a cornercorner with one O(4)Zn3In tetrahedra,  a cornercorner with one O(9)Zn3In tetrahedra, corners with two equivalent O(5)Zn3In trigonal pyramids,  an edgeedge with one O(13)Zn2In2 tetrahedra,  an edgeedge with one O(1)Zn2In2 trigonal pyramid, and  an edgeedge with one O(7)Zn2In2 trigonal pyramid. In the twelfth O site, O(12) is bonded to one Zn(5), one In(1), one In(3), and one In(5) atom to form distorted OZnIn3 tetrahedra that share  a cornercorner with one O(10)Zn3In tetrahedra,  a cornercorner with one O(15)Zn3In tetrahedra,  a cornercorner with one O(4)Zn3In tetrahedra,  a cornercorner with one O(2)ZnIn3 tetrahedra, corners with two equivalent O(6)In4 tetrahedra, corners with two equivalent O(14)ZnIn3 tetrahedra, corners with two equivalent O(17)ZnIn3 tetrahedra, corners with two equivalent O(24)ZnIn3 tetrahedra,  an edgeedge with one O(2)ZnIn3 tetrahedra,  an edgeedge with one O(20)ZnIn3 tetrahedra, and  an edgeedge with one O(8)ZnIn3 tetrahedra. In the thirteenth O site, O(13) is bonded to one Zn(11), one Zn(7), one In(6), and one In(7) atom to form OZn2In2 tetrahedra that share  a cornercorner with one O(15)Zn3In tetrahedra,  a cornercorner with one O(9)Zn3In tetrahedra,  a cornercorner with one O(16)Zn4 tetrahedra,  a cornercorner with one O(21)Zn4 tetrahedra, corners with two equivalent O(19)Zn3In tetrahedra, corners with two equivalent O(1)Zn2In2 trigonal pyramids, corners with two equivalent O(7)Zn2In2 trigonal pyramids, and  an edgeedge with one O(11)Zn2In2 tetrahedra. In the fourteenth O site, O(14) is bonded to one Zn(6), one In(1), one In(5), and one In(8) atom to form OZnIn3 tetrahedra that share  a cornercorner with one O(9)Zn3In tetrahedra,  a cornercorner with one O(16)Zn4 tetrahedra,  a cornercorner with one O(21)Zn4 tetrahedra,  a cornercorner with one O(24)ZnIn3 tetrahedra, corners with two equivalent O(12)ZnIn3 tetrahedra, corners with two equivalent O(2)ZnIn3 tetrahedra, corners with two equivalent O(20)ZnIn3 tetrahedra, corners with two equivalent O(8)ZnIn3 tetrahedra,  an edgeedge with one O(6)In4 tetrahedra,  an edgeedge with one O(17)ZnIn3 tetrahedra, and  an edgeedge with one O(24)ZnIn3 tetrahedra. In the fifteenth O site, O(15) is bonded to one Zn(12), one Zn(5), one Zn(8), and one In(7) atom to form OZn3In tetrahedra that share  a cornercorner with one O(11)Zn2In2 tetrahedra,  a cornercorner with one O(13)Zn2In2 tetrahedra,  a cornercorner with one O(12)ZnIn3 tetrahedra,  a cornercorner with one O(17)ZnIn3 tetrahedra,  a cornercorner with one O(24)ZnIn3 tetrahedra, corners with two equivalent O(10)Zn3In tetrahedra, corners with two equivalent O(22)Zn3In tetrahedra, and corners with two equivalent O(4)Zn3In tetrahedra. In the sixteenth O site, O(16) is bonded to one Zn(3), one Zn(6), one Zn(7), and one Zn(9) atom to form OZn4 tetrahedra that share  a cornercorner with one O(13)Zn2In2 tetrahedra,  a cornercorner with one O(19)Zn3In tetrahedra,  a cornercorner with one O(14)ZnIn3 tetrahedra,  a cornercorner with one O(20)ZnIn3 tetrahedra,  a cornercorner with one O(8)ZnIn3 tetrahedra, corners with two equivalent O(3)Zn3In tetrahedra, corners with two equivalent O(9)Zn3In tetrahedra, corners with two equivalent O(21)Zn4 tetrahedra, and  a cornercorner with one O(7)Zn2In2 trigonal pyramid. In the seventeenth O site, O(17) is bonded to one Zn(8), one In(3), one In(5), and one In(8) atom to form distorted OZnIn3 tetrahedra that share  a cornercorner with one O(10)Zn3In tetrahedra,  a cornercorner with one O(15)Zn3In tetrahedra,  a cornercorner with one O(22)Zn3In tetrahedra,  a cornercorner with one O(8)ZnIn3 tetrahedra, corners with two equivalent O(6)In4 tetrahedra, corners with two equivalent O(12)ZnIn3 tetrahedra, corners with two equivalent O(20)ZnIn3 tetrahedra, corners with two equivalent O(24)ZnIn3 tetrahedra,  an edgeedge with one O(14)ZnIn3 tetrahedra,  an edgeedge with one O(2)ZnIn3 tetrahedra, and  an edgeedge with one O(8)ZnIn3 tetrahedra. In the eighteenth O site, O(18) is bonded in a trigonal planar geometry to one Zn(10), one Zn(4), and one In(7) atom. In the nineteenth O site, O(19) is bonded to one Zn(10), one Zn(11), one Zn(7), and one In(2) atom to form distorted OZn3In tetrahedra that share  a cornercorner with one O(22)Zn3In tetrahedra,  a cornercorner with one O(3)Zn3In tetrahedra,  a cornercorner with one O(16)Zn4 tetrahedra,  a cornercorner with one O(21)Zn4 tetrahedra, corners with two equivalent O(13)Zn2In2 tetrahedra, corners with two equivalent O(1)Zn2In2 trigonal pyramids, corners with two equivalent O(7)Zn2In2 trigonal pyramids, and  an edgeedge with one O(5)Zn3In trigonal pyramid. In the twentieth O site, O(20) is bonded to one Zn(9), one In(1), one In(3), and one In(8) atom to form OZnIn3 tetrahedra that share  a cornercorner with one O(6)In4 tetrahedra,  a cornercorner with one O(3)Zn3In tetrahedra,  a cornercorner with one O(16)Zn4 tetrahedra,  a cornercorner with one O(21)Zn4 tetrahedra, corners with two equivalent O(14)ZnIn3 tetrahedra, corners with two equivalent O(17)ZnIn3 tetrahedra, corners with two equivalent O(2)ZnIn3 tetrahedra, corners with two equivalent O(8)ZnIn3 tetrahedra,  an edgeedge with one O(6)In4 tetrahedra,  an edgeedge with one O(12)ZnIn3 tetrahedra, and  an edgeedge with one O(24)ZnIn3 tetrahedra. In the twenty-first O site, O(21) is bonded to one Zn(1), one Zn(11), one Zn(6), and one Zn(9) atom to form OZn4 tetrahedra that share  a cornercorner with one O(13)Zn2In2 tetrahedra,  a cornercorner with one O(19)Zn3In tetrahedra,  a cornercorner with one O(14)ZnIn3 tetrahedra,  a cornercorner with one O(2)ZnIn3 tetrahedra,  a cornercorner with one O(20)ZnIn3 tetrahedra, corners with two equivalent O(3)Zn3In tetrahedra, corners with two equivalent O(9)Zn3In tetrahedra, corners with two equivalent O(16)Zn4 tetrahedra, and  a cornercorner with one O(1)Zn2In2 trigonal pyramid. In the twenty-second O site, O(22) is bonded to one Zn(10), one Zn(12), one Zn(8), and one In(4) atom to form OZn3In tetrahedra that share  a cornercorner with one O(6)In4 tetrahedra,  a cornercorner with one O(19)Zn3In tetrahedra,  a cornercorner with one O(17)ZnIn3 tetrahedra,  a cornercorner with one O(24)ZnIn3 tetrahedra, corners with two equivalent O(10)Zn3In tetrahedra, corners with two equivalent O(15)Zn3In tetrahedra, corners with two equivalent O(4)Zn3In tetrahedra, and  a cornercorner with one O(5)Zn3In trigonal pyramid. In the twenty-third O site, O(23) is bonded in a trigonal planar geometry to one Zn(10), one Zn(2), and one In(7) atom. In the twenty-fourth O site, O(24) is bonded to one Zn(12), one In(1), one In(5), and one In(8) atom to form distorted OZnIn3 tetrahedra that share  a cornercorner with one O(15)Zn3In tetrahedra,  a cornercorner with one O(22)Zn3In tetrahedra,  a cornercorner with one O(4)Zn3In tetrahedra,  a cornercorner with one O(14)ZnIn3 tetrahedra, corners with two equivalent O(6)In4 tetrahedra, corners with two equivalent O(12)ZnIn3 tetrahedra, corners with two equivalent O(17)ZnIn3 tetrahedra, corners with two equivalent O(2)ZnIn3 tetrahedra,  an edgeedge with one O(14)ZnIn3 tetrahedra,  an edgeedge with one O(20)ZnIn3 tetrahedra, and  an edgeedge with one O(8)ZnIn3 tetrahedra.
Zn3In2O6 is Aluminum carbonitride-like structured and crystallizes in the triclinic P1 space group. There are twelve inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(2), one O(21), one O(3), and one O(9) atom to form ZnO4 tetrahedra that share  a cornercorner with one In(1)O6 octahedra,  a cornercorner with one In(3)O6 octahedra,  a cornercorner with one In(5)O6 octahedra,  a cornercorner with one Zn(11)O4 tetrahedra, corners with two equivalent Zn(3)O4 tetrahedra, corners with two equivalent Zn(6)O4 tetrahedra, corners with two equivalent Zn(9)O4 tetrahedra,  a cornercorner with one In(2)O5 trigonal bipyramid, and  a cornercorner with one In(6)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 61-62°. The Zn(1)-O(2) bond length is 2.00 Å. The Zn(1)-O(21) bond length is 2.03 Å. The Zn(1)-O(3) bond length is 2.07 Å. The Zn(1)-O(9) bond length is 2.08 Å. In the second Zn site, Zn(2) is bonded to one O(1), one O(11), one O(23), one O(4), and one O(5) atom to form distorted ZnO5 trigonal bipyramids that share  a cornercorner with one Zn(11)O4 tetrahedra,  a cornercorner with one Zn(12)O4 tetrahedra,  a cornercorner with one Zn(5)O4 tetrahedra,  a cornercorner with one In(4)O4 tetrahedra, corners with two equivalent Zn(10)O5 trigonal bipyramids, corners with two equivalent Zn(4)O5 trigonal bipyramids, corners with two equivalent In(7)O5 trigonal bipyramids,  an edgeedge with one In(2)O5 trigonal bipyramid, and  an edgeedge with one In(6)O5 trigonal bipyramid. The Zn(2)-O(1) bond length is 2.47 Å. The Zn(2)-O(11) bond length is 1.98 Å. The Zn(2)-O(23) bond length is 1.92 Å. The Zn(2)-O(4) bond length is 2.16 Å. The Zn(2)-O(5) bond length is 1.99 Å. In the third Zn site, Zn(3) is bonded to one O(16), one O(3), one O(8), and one O(9) atom to form ZnO4 tetrahedra that share  a cornercorner with one In(3)O6 octahedra,  a cornercorner with one In(5)O6 octahedra,  a cornercorner with one In(8)O6 octahedra,  a cornercorner with one Zn(7)O4 tetrahedra, corners with two equivalent Zn(1)O4 tetrahedra, corners with two equivalent Zn(6)O4 tetrahedra, corners with two equivalent Zn(9)O4 tetrahedra,  a cornercorner with one In(2)O5 trigonal bipyramid, and  a cornercorner with one In(6)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 60-62°. The Zn(3)-O(16) bond length is 2.03 Å. The Zn(3)-O(3) bond length is 2.06 Å. The Zn(3)-O(8) bond length is 2.00 Å. The Zn(3)-O(9) bond length is 2.08 Å. In the fourth Zn site, Zn(4) is bonded to one O(10), one O(11), one O(18), one O(5), and one O(7) atom to form distorted ZnO5 trigonal bipyramids that share  a cornercorner with one Zn(5)O4 tetrahedra,  a cornercorner with one Zn(7)O4 tetrahedra,  a cornercorner with one Zn(8)O4 tetrahedra,  a cornercorner with one In(4)O4 tetrahedra, corners with two equivalent Zn(10)O5 trigonal bipyramids, corners with two equivalent Zn(2)O5 trigonal bipyramids, corners with two equivalent In(7)O5 trigonal bipyramids,  an edgeedge with one In(2)O5 trigonal bipyramid, and  an edgeedge with one In(6)O5 trigonal bipyramid. The Zn(4)-O(10) bond length is 2.16 Å. The Zn(4)-O(11) bond length is 1.99 Å. The Zn(4)-O(18) bond length is 1.93 Å. The Zn(4)-O(5) bond length is 1.99 Å. The Zn(4)-O(7) bond length is 2.44 Å. In the fifth Zn site, Zn(5) is bonded to one O(10), one O(12), one O(15), and one O(4) atom to form ZnO4 tetrahedra that share  a cornercorner with one In(1)O6 octahedra,  a cornercorner with one In(3)O6 octahedra,  a cornercorner with one In(5)O6 octahedra, corners with two equivalent Zn(12)O4 tetrahedra, corners with two equivalent Zn(8)O4 tetrahedra, corners with two equivalent In(4)O4 tetrahedra,  a cornercorner with one Zn(2)O5 trigonal bipyramid,  a cornercorner with one Zn(4)O5 trigonal bipyramid, and  a cornercorner with one In(7)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 60-63°. The Zn(5)-O(10) bond length is 2.02 Å. The Zn(5)-O(12) bond length is 1.99 Å. The Zn(5)-O(15) bond length is 2.02 Å. The Zn(5)-O(4) bond length is 2.03 Å. In the sixth Zn site, Zn(6) is bonded to one O(14), one O(16), one O(21), and one O(9) atom to form ZnO4 tetrahedra that share  a cornercorner with one In(1)O6 octahedra,  a cornercorner with one In(5)O6 octahedra,  a cornercorner with one In(8)O6 octahedra,  a cornercorner with one Zn(11)O4 tetrahedra,  a cornercorner with one Zn(7)O4 tetrahedra, corners with two equivalent Zn(1)O4 tetrahedra, corners with two equivalent Zn(3)O4 tetrahedra, corners with two equivalent Zn(9)O4 tetrahedra, and  a cornercorner with one In(6)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 61-63°. The Zn(6)-O(14) bond length is 2.00 Å. The Zn(6)-O(16) bond length is 2.02 Å. The Zn(6)-O(21) bond length is 2.03 Å. The Zn(6)-O(9) bond length is 2.07 Å. In the seventh Zn site, Zn(7) is bonded to one O(13), one O(16), one O(19), and one O(7) atom to form ZnO4 tetrahedra that share  a cornercorner with one Zn(3)O4 tetrahedra,  a cornercorner with one Zn(6)O4 tetrahedra,  a cornercorner with one Zn(9)O4 tetrahedra, corners with two equivalent Zn(11)O4 tetrahedra,  a cornercorner with one Zn(10)O5 trigonal bipyramid,  a cornercorner with one Zn(4)O5 trigonal bipyramid,  a cornercorner with one In(7)O5 trigonal bipyramid, corners with two equivalent In(2)O5 trigonal bipyramids, and corners with two equivalent In(6)O5 trigonal bipyramids. The Zn(7)-O(13) bond length is 1.97 Å. The Zn(7)-O(16) bond length is 2.05 Å. The Zn(7)-O(19) bond length is 1.95 Å. The Zn(7)-O(7) bond length is 1.96 Å. In the eighth Zn site, Zn(8) is bonded to one O(10), one O(15), one O(17), and one O(22) atom to form ZnO4 tetrahedra that share  a cornercorner with one In(3)O6 octahedra,  a cornercorner with one In(5)O6 octahedra,  a cornercorner with one In(8)O6 octahedra, corners with two equivalent Zn(12)O4 tetrahedra, corners with two equivalent Zn(5)O4 tetrahedra, corners with two equivalent In(4)O4 tetrahedra,  a cornercorner with one Zn(10)O5 trigonal bipyramid,  a cornercorner with one Zn(4)O5 trigonal bipyramid, and  a cornercorner with one In(7)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 61-62°. The Zn(8)-O(10) bond length is 2.03 Å. The Zn(8)-O(15) bond length is 2.05 Å. The Zn(8)-O(17) bond length is 2.02 Å. The Zn(8)-O(22) bond length is 2.01 Å. In the ninth Zn site, Zn(9) is bonded to one O(16), one O(20), one O(21), and one O(3) atom to form ZnO4 tetrahedra that share  a cornercorner with one In(1)O6 octahedra,  a cornercorner with one In(3)O6 octahedra,  a cornercorner with one In(8)O6 octahedra,  a cornercorner with one Zn(11)O4 tetrahedra,  a cornercorner with one Zn(7)O4 tetrahedra, corners with two equivalent Zn(1)O4 tetrahedra, corners with two equivalent Zn(3)O4 tetrahedra, corners with two equivalent Zn(6)O4 tetrahedra, and  a cornercorner with one In(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 61-63°. The Zn(9)-O(16) bond length is 2.03 Å. The Zn(9)-O(20) bond length is 2.01 Å. The Zn(9)-O(21) bond length is 2.03 Å. The Zn(9)-O(3) bond length is 2.07 Å. In the tenth Zn site, Zn(10) is bonded to one O(18), one O(19), one O(22), one O(23), and one O(5) atom to form ZnO5 trigonal bipyramids that share  a cornercorner with one Zn(11)O4 tetrahedra,  a cornercorner with one Zn(12)O4 tetrahedra,  a cornercorner with one Zn(7)O4 tetrahedra,  a cornercorner with one Zn(8)O4 tetrahedra,  a cornercorner with one In(4)O4 tetrahedra, corners with two equivalent Zn(2)O5 trigonal bipyramids, corners with two equivalent Zn(4)O5 trigonal bipyramids, corners with two equivalent In(7)O5 trigonal bipyramids, and  an edgeedge with one In(2)O5 trigonal bipyramid. The Zn(10)-O(18) bond length is 1.94 Å. The Zn(10)-O(19) bond length is 2.38 Å. The Zn(10)-O(22) bond length is 2.22 Å. The Zn(10)-O(23) bond length is 1.93 Å. The Zn(10)-O(5) bond length is 2.00 Å. In the eleventh Zn site, Zn(11) is bonded to one O(1), one O(13), one O(19), and one O(21) atom to form ZnO4 tetrahedra that share  a cornercorner with one Zn(1)O4 tetrahedra,  a cornercorner with one Zn(6)O4 tetrahedra,  a cornercorner with one Zn(9)O4 tetrahedra, corners with two equivalent Zn(7)O4 tetrahedra,  a cornercorner with one Zn(10)O5 trigonal bipyramid,  a cornercorner with one Zn(2)O5 trigonal bipyramid,  a cornercorner with one In(7)O5 trigonal bipyramid, corners with two equivalent In(2)O5 trigonal bipyramids, and corners with two equivalent In(6)O5 trigonal bipyramids. The Zn(11)-O(1) bond length is 1.96 Å. The Zn(11)-O(13) bond length is 1.97 Å. The Zn(11)-O(19) bond length is 1.95 Å. The Zn(11)-O(21) bond length is 2.05 Å. In the twelfth Zn site, Zn(12) is bonded to one O(15), one O(22), one O(24), and one O(4) atom to form ZnO4 tetrahedra that share  a cornercorner with one In(1)O6 octahedra,  a cornercorner with one In(5)O6 octahedra,  a cornercorner with one In(8)O6 octahedra, corners with two equivalent Zn(5)O4 tetrahedra, corners with two equivalent Zn(8)O4 tetrahedra, corners with two equivalent In(4)O4 tetrahedra,  a cornercorner with one Zn(10)O5 trigonal bipyramid,  a cornercorner with one Zn(2)O5 trigonal bipyramid, and  a cornercorner with one In(7)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 60-62°. The Zn(12)-O(15) bond length is 2.04 Å. The Zn(12)-O(22) bond length is 2.01 Å. The Zn(12)-O(24) bond length is 2.02 Å. The Zn(12)-O(4) bond length is 2.06 Å. There are eight inequivalent In sites. In the first In site, In(1) is bonded to one O(12), one O(14), one O(2), one O(20), one O(24), and one O(6) atom to form InO6 octahedra that share  a cornercorner with one Zn(1)O4 tetrahedra,  a cornercorner with one Zn(12)O4 tetrahedra,  a cornercorner with one Zn(5)O4 tetrahedra,  a cornercorner with one Zn(6)O4 tetrahedra,  a cornercorner with one Zn(9)O4 tetrahedra,  a cornercorner with one In(4)O4 tetrahedra, edges with two equivalent In(3)O6 octahedra, edges with two equivalent In(5)O6 octahedra, and edges with two equivalent In(8)O6 octahedra. The In(1)-O(12) bond length is 2.24 Å. The In(1)-O(14) bond length is 2.23 Å. The In(1)-O(2) bond length is 2.24 Å. The In(1)-O(20) bond length is 2.23 Å. The In(1)-O(24) bond length is 2.25 Å. The In(1)-O(6) bond length is 2.27 Å. In the second In site, In(2) is bonded to one O(1), one O(19), one O(3), one O(5), and one O(7) atom to form InO5 trigonal bipyramids that share  a cornercorner with one Zn(1)O4 tetrahedra,  a cornercorner with one Zn(3)O4 tetrahedra,  a cornercorner with one Zn(9)O4 tetrahedra, corners with two equivalent Zn(11)O4 tetrahedra, corners with two equivalent Zn(7)O4 tetrahedra, corners with two equivalent In(6)O5 trigonal bipyramids,  an edgeedge with one Zn(10)O5 trigonal bipyramid,  an edgeedge with one Zn(2)O5 trigonal bipyramid, and  an edgeedge with one Zn(4)O5 trigonal bipyramid. The In(2)-O(1) bond length is 2.06 Å. The In(2)-O(19) bond length is 2.05 Å. The In(2)-O(3) bond length is 2.21 Å. The In(2)-O(5) bond length is 2.47 Å. The In(2)-O(7) bond length is 2.06 Å. In the third In site, In(3) is bonded to one O(12), one O(17), one O(2), one O(20), one O(6), and one O(8) atom to form InO6 octahedra that share  a cornercorner with one Zn(1)O4 tetrahedra,  a cornercorner with one Zn(3)O4 tetrahedra,  a cornercorner with one Zn(5)O4 tetrahedra,  a cornercorner with one Zn(8)O4 tetrahedra,  a cornercorner with one Zn(9)O4 tetrahedra,  a cornercorner with one In(4)O4 tetrahedra, edges with two equivalent In(1)O6 octahedra, edges with two equivalent In(5)O6 octahedra, and edges with two equivalent In(8)O6 octahedra. The In(3)-O(12) bond length is 2.24 Å. The In(3)-O(17) bond length is 2.24 Å. The In(3)-O(2) bond length is 2.23 Å. The In(3)-O(20) bond length is 2.23 Å. The In(3)-O(6) bond length is 2.27 Å. The In(3)-O(8) bond length is 2.24 Å. In the fourth In site, In(4) is bonded to one O(10), one O(22), one O(4), and one O(6) atom to form distorted InO4 tetrahedra that share  a cornercorner with one In(1)O6 octahedra,  a cornercorner with one In(3)O6 octahedra,  a cornercorner with one In(8)O6 octahedra, corners with two equivalent Zn(12)O4 tetrahedra, corners with two equivalent Zn(5)O4 tetrahedra, corners with two equivalent Zn(8)O4 tetrahedra,  a cornercorner with one Zn(10)O5 trigonal bipyramid,  a cornercorner with one Zn(2)O5 trigonal bipyramid, and  a cornercorner with one Zn(4)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 61-62°. The In(4)-O(10) bond length is 2.10 Å. The In(4)-O(22) bond length is 2.09 Å. The In(4)-O(4) bond length is 2.10 Å. The In(4)-O(6) bond length is 2.14 Å. In the fifth In site, In(5) is bonded to one O(12), one O(14), one O(17), one O(2), one O(24), and one O(8) atom to form InO6 octahedra that share  a cornercorner with one Zn(1)O4 tetrahedra,  a cornercorner with one Zn(12)O4 tetrahedra,  a cornercorner with one Zn(3)O4 tetrahedra,  a cornercorner with one Zn(5)O4 tetrahedra,  a cornercorner with one Zn(6)O4 tetrahedra,  a cornercorner with one Zn(8)O4 tetrahedra, edges with two equivalent In(1)O6 octahedra, edges with two equivalent In(3)O6 octahedra, and edges with two equivalent In(8)O6 octahedra. The In(5)-O(12) bond length is 2.24 Å. The In(5)-O(14) bond length is 2.24 Å. The In(5)-O(17) bond length is 2.24 Å. The In(5)-O(2) bond length is 2.25 Å. The In(5)-O(24) bond length is 2.25 Å. The In(5)-O(8) bond length is 2.24 Å. In the sixth In site, In(6) is bonded to one O(1), one O(11), one O(13), one O(7), and one O(9) atom to form InO5 trigonal bipyramids that share  a cornercorner with one Zn(1)O4 tetrahedra,  a cornercorner with one Zn(3)O4 tetrahedra,  a cornercorner with one Zn(6)O4 tetrahedra, corners with two equivalent Zn(11)O4 tetrahedra, corners with two equivalent Zn(7)O4 tetrahedra, corners with two equivalent In(2)O5 trigonal bipyramids,  an edgeedge with one Zn(2)O5 trigonal bipyramid,  an edgeedge with one Zn(4)O5 trigonal bipyramid, and  an edgeedge with one In(7)O5 trigonal bipyramid. The In(6)-O(1) bond length is 2.07 Å. The In(6)-O(11) bond length is 2.31 Å. The In(6)-O(13) bond length is 2.08 Å. The In(6)-O(7) bond length is 2.07 Å. The In(6)-O(9) bond length is 2.18 Å. In the seventh In site, In(7) is bonded to one O(11), one O(13), one O(15), one O(18), and one O(23) atom to form InO5 trigonal bipyramids that share  a cornercorner with one Zn(11)O4 tetrahedra,  a cornercorner with one Zn(12)O4 tetrahedra,  a cornercorner with one Zn(5)O4 tetrahedra,  a cornercorner with one Zn(7)O4 tetrahedra,  a cornercorner with one Zn(8)O4 tetrahedra, corners with two equivalent Zn(10)O5 trigonal bipyramids, corners with two equivalent Zn(2)O5 trigonal bipyramids, corners with two equivalent Zn(4)O5 trigonal bipyramids, and  an edgeedge with one In(6)O5 trigonal bipyramid. The In(7)-O(11) bond length is 2.10 Å. The In(7)-O(13) bond length is 2.33 Å. The In(7)-O(15) bond length is 2.22 Å. The In(7)-O(18) bond length is 2.05 Å. The In(7)-O(23) bond length is 2.04 Å. In the eighth In site, In(8) is bonded to one O(14), one O(17), one O(20), one O(24), one O(6), and one O(8) atom to form InO6 octahedra that share  a cornercorner with one Zn(12)O4 tetrahedra,  a cornercorner with one Zn(3)O4 tetrahedra,  a cornercorner with one Zn(6)O4 tetrahedra,  a cornercorner with one Zn(8)O4 tetrahedra,  a cornercorner with one Zn(9)O4 tetrahedra,  a cornercorner with one In(4)O4 tetrahedra, edges with two equivalent In(1)O6 octahedra, edges with two equivalent In(3)O6 octahedra, and edges with two equivalent In(5)O6 octahedra. The In(8)-O(14) bond length is 2.23 Å. The In(8)-O(17) bond length is 2.25 Å. The In(8)-O(20) bond length is 2.24 Å. The In(8)-O(24) bond length is 2.25 Å. The In(8)-O(6) bond length is 2.27 Å. The In(8)-O(8) bond length is 2.23 Å. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded to one Zn(11), one Zn(2), one In(2), and one In(6) atom to form distorted OZn2In2 trigonal pyramids that share  a cornercorner with one O(3)Zn3In tetrahedra,  a cornercorner with one O(4)Zn3In tetrahedra,  a cornercorner with one O(9)Zn3In tetrahedra,  a cornercorner with one O(21)Zn4 tetrahedra, corners with two equivalent O(13)Zn2In2 tetrahedra, corners with two equivalent O(19)Zn3In tetrahedra, corners with two equivalent O(7)Zn2In2 trigonal pyramids,  an edgeedge with one O(11)Zn2In2 tetrahedra, and  an edgeedge with one O(5)Zn3In trigonal pyramid. In the second O site, O(2) is bonded to one Zn(1), one In(1), one In(3), and one In(5) atom to form distorted OZnIn3 tetrahedra that share  a cornercorner with one O(3)Zn3In tetrahedra,  a cornercorner with one O(9)Zn3In tetrahedra,  a cornercorner with one O(21)Zn4 tetrahedra,  a cornercorner with one O(12)ZnIn3 tetrahedra, corners with two equivalent O(14)ZnIn3 tetrahedra, corners with two equivalent O(20)ZnIn3 tetrahedra, corners with two equivalent O(24)ZnIn3 tetrahedra, corners with two equivalent O(8)ZnIn3 tetrahedra,  an edgeedge with one O(6)In4 tetrahedra,  an edgeedge with one O(12)ZnIn3 tetrahedra, and  an edgeedge with one O(17)ZnIn3 tetrahedra. In the third O site, O(3) is bonded to one Zn(1), one Zn(3), one Zn(9), and one In(2) atom to form OZn3In tetrahedra that share  a cornercorner with one O(19)Zn3In tetrahedra,  a cornercorner with one O(2)ZnIn3 tetrahedra,  a cornercorner with one O(20)ZnIn3 tetrahedra,  a cornercorner with one O(8)ZnIn3 tetrahedra, corners with two equivalent O(9)Zn3In tetrahedra, corners with two equivalent O(16)Zn4 tetrahedra, corners with two equivalent O(21)Zn4 tetrahedra,  a cornercorner with one O(1)Zn2In2 trigonal pyramid,  a cornercorner with one O(7)Zn2In2 trigonal pyramid, and  a cornercorner with one O(5)Zn3In trigonal pyramid. In the fourth O site, O(4) is bonded to one Zn(12), one Zn(2), one Zn(5), and one In(4) atom to form OZn3In tetrahedra that share  a cornercorner with one O(6)In4 tetrahedra,  a cornercorner with one O(11)Zn2In2 tetrahedra,  a cornercorner with one O(12)ZnIn3 tetrahedra,  a cornercorner with one O(24)ZnIn3 tetrahedra, corners with two equivalent O(10)Zn3In tetrahedra, corners with two equivalent O(15)Zn3In tetrahedra, corners with two equivalent O(22)Zn3In tetrahedra,  a cornercorner with one O(1)Zn2In2 trigonal pyramid, and  a cornercorner with one O(5)Zn3In trigonal pyramid. In the fifth O site, O(5) is bonded to one Zn(10), one Zn(2), one Zn(4), and one In(2) atom to form distorted OZn3In trigonal pyramids that share  a cornercorner with one O(10)Zn3In tetrahedra,  a cornercorner with one O(22)Zn3In tetrahedra,  a cornercorner with one O(3)Zn3In tetrahedra,  a cornercorner with one O(4)Zn3In tetrahedra, corners with two equivalent O(11)Zn2In2 tetrahedra,  an edgeedge with one O(19)Zn3In tetrahedra,  an edgeedge with one O(1)Zn2In2 trigonal pyramid, and  an edgeedge with one O(7)Zn2In2 trigonal pyramid. In the sixth O site, O(6) is bonded to one In(1), one In(3), one In(4), and one In(8) atom to form distorted OIn4 tetrahedra that share  a cornercorner with one O(10)Zn3In tetrahedra,  a cornercorner with one O(22)Zn3In tetrahedra,  a cornercorner with one O(4)Zn3In tetrahedra,  a cornercorner with one O(20)ZnIn3 tetrahedra, corners with two equivalent O(12)ZnIn3 tetrahedra, corners with two equivalent O(17)ZnIn3 tetrahedra, corners with two equivalent O(24)ZnIn3 tetrahedra, corners with two equivalent O(8)ZnIn3 tetrahedra,  an edgeedge with one O(14)ZnIn3 tetrahedra,  an edgeedge with one O(2)ZnIn3 tetrahedra, and  an edgeedge with one O(20)ZnIn3 tetrahedra. In the seventh O site, O(7) is bonded to one Zn(4), one Zn(7), one In(2), and one In(6) atom to form distorted OZn2In2 trigonal pyramids that share  a cornercorner with one O(10)Zn3In tetrahedra,  a cornercorner with one O(3)Zn3In tetrahedra,  a cornercorner with one O(9)Zn3In tetrahedra,  a cornercorner with one O(16)Zn4 tetrahedra, corners with two equivalent O(13)Zn2In2 tetrahedra, corners with two equivalent O(19)Zn3In tetrahedra, corners with two equivalent O(1)Zn2In2 trigonal pyramids,  an edgeedge with one O(11)Zn2In2 tetrahedra, and  an edgeedge with one O(5)Zn3In trigonal pyramid. In the eighth O site, O(8) is bonded to one Zn(3), one In(3), one In(5), and one In(8) atom to form distorted OZnIn3 tetrahedra that share  a cornercorner with one O(3)Zn3In tetrahedra,  a cornercorner with one O(9)Zn3In tetrahedra,  a cornercorner with one O(16)Zn4 tetrahedra,  a cornercorner with one O(17)ZnIn3 tetrahedra, corners with two equivalent O(6)In4 tetrahedra, corners with two equivalent O(14)ZnIn3 tetrahedra, corners with two equivalent O(2)ZnIn3 tetrahedra, corners with two equivalent O(20)ZnIn3 tetrahedra,  an edgeedge with one O(12)ZnIn3 tetrahedra,  an edgeedge with one O(17)ZnIn3 tetrahedra, and  an edgeedge with one O(24)ZnIn3 tetrahedra. In the ninth O site, O(9) is bonded to one Zn(1), one Zn(3), one Zn(6), and one In(6) atom to form OZn3In tetrahedra that share  a cornercorner with one O(11)Zn2In2 tetrahedra,  a cornercorner with one O(13)Zn2In2 tetrahedra,  a cornercorner with one O(14)ZnIn3 tetrahedra,  a cornercorner with one O(2)ZnIn3 tetrahedra,  a cornercorner with one O(8)ZnIn3 tetrahedra, corners with two equivalent O(3)Zn3In tetrahedra, corners with two equivalent O(16)Zn4 tetrahedra, corners with two equivalent O(21)Zn4 tetrahedra,  a cornercorner with one O(1)Zn2In2 trigonal pyramid, and  a cornercorner with one O(7)Zn2In2 trigonal pyramid. In the tenth O site, O(10) is bonded to one Zn(4), one Zn(5), one Zn(8), and one In(4) atom to form OZn3In tetrahedra that share  a cornercorner with one O(6)In4 tetrahedra,  a cornercorner with one O(11)Zn2In2 tetrahedra,  a cornercorner with one O(12)ZnIn3 tetrahedra,  a cornercorner with one O(17)ZnIn3 tetrahedra, corners with two equivalent O(15)Zn3In tetrahedra, corners with two equivalent O(22)Zn3In tetrahedra, corners with two equivalent O(4)Zn3In tetrahedra,  a cornercorner with one O(7)Zn2In2 trigonal pyramid, and  a cornercorner with one O(5)Zn3In trigonal pyramid. In the eleventh O site, O(11) is bonded to one Zn(2), one Zn(4), one In(6), and one In(7) atom to form distorted OZn2In2 tetrahedra that share  a cornercorner with one O(10)Zn3In tetrahedra,  a cornercorner with one O(15)Zn3In tetrahedra,  a cornercorner with one O(4)Zn3In tetrahedra,  a cornercorner with one O(9)Zn3In tetrahedra, corners with two equivalent O(5)Zn3In trigonal pyramids,  an edgeedge with one O(13)Zn2In2 tetrahedra,  an edgeedge with one O(1)Zn2In2 trigonal pyramid, and  an edgeedge with one O(7)Zn2In2 trigonal pyramid. In the twelfth O site, O(12) is bonded to one Zn(5), one In(1), one In(3), and one In(5) atom to form distorted OZnIn3 tetrahedra that share  a cornercorner with one O(10)Zn3In tetrahedra,  a cornercorner with one O(15)Zn3In tetrahedra,  a cornercorner with one O(4)Zn3In tetrahedra,  a cornercorner with one O(2)ZnIn3 tetrahedra, corners with two equivalent O(6)In4 tetrahedra, corners with two equivalent O(14)ZnIn3 tetrahedra, corners with two equivalent O(17)ZnIn3 tetrahedra, corners with two equivalent O(24)ZnIn3 tetrahedra,  an edgeedge with one O(2)ZnIn3 tetrahedra,  an edgeedge with one O(20)ZnIn3 tetrahedra, and  an edgeedge with one O(8)ZnIn3 tetrahedra. In the thirteenth O site, O(13) is bonded to one Zn(11), one Zn(7), one In(6), and one In(7) atom to form OZn2In2 tetrahedra that share  a cornercorner with one O(15)Zn3In tetrahedra,  a cornercorner with one O(9)Zn3In tetrahedra,  a cornercorner with one O(16)Zn4 tetrahedra,  a cornercorner with one O(21)Zn4 tetrahedra, corners with two equivalent O(19)Zn3In tetrahedra, corners with two equivalent O(1)Zn2In2 trigonal pyramids, corners with two equivalent O(7)Zn2In2 trigonal pyramids, and  an edgeedge with one O(11)Zn2In2 tetrahedra. In the fourteenth O site, O(14) is bonded to one Zn(6), one In(1), one In(5), and one In(8) atom to form OZnIn3 tetrahedra that share  a cornercorner with one O(9)Zn3In tetrahedra,  a cornercorner with one O(16)Zn4 tetrahedra,  a cornercorner with one O(21)Zn4 tetrahedra,  a cornercorner with one O(24)ZnIn3 tetrahedra, corners with two equivalent O(12)ZnIn3 tetrahedra, corners with two equivalent O(2)ZnIn3 tetrahedra, corners with two equivalent O(20)ZnIn3 tetrahedra, corners with two equivalent O(8)ZnIn3 tetrahedra,  an edgeedge with one O(6)In4 tetrahedra,  an edgeedge with one O(17)ZnIn3 tetrahedra, and  an edgeedge with one O(24)ZnIn3 tetrahedra. In the fifteenth O site, O(15) is bonded to one Zn(12), one Zn(5), one Zn(8), and one In(7) atom to form OZn3In tetrahedra that share  a cornercorner with one O(11)Zn2In2 tetrahedra,  a cornercorner with one O(13)Zn2In2 tetrahedra,  a cornercorner with one O(12)ZnIn3 tetrahedra,  a cornercorner with one O(17)ZnIn3 tetrahedra,  a cornercorner with one O(24)ZnIn3 tetrahedra, corners with two equivalent O(10)Zn3In tetrahedra, corners with two equivalent O(22)Zn3In tetrahedra, and corners with two equivalent O(4)Zn3In tetrahedra. In the sixteenth O site, O(16) is bonded to one Zn(3), one Zn(6), one Zn(7), and one Zn(9) atom to form OZn4 tetrahedra that share  a cornercorner with one O(13)Zn2In2 tetrahedra,  a cornercorner with one O(19)Zn3In tetrahedra,  a cornercorner with one O(14)ZnIn3 tetrahedra,  a cornercorner with one O(20)ZnIn3 tetrahedra,  a cornercorner with one O(8)ZnIn3 tetrahedra, corners with two equivalent O(3)Zn3In tetrahedra, corners with two equivalent O(9)Zn3In tetrahedra, corners with two equivalent O(21)Zn4 tetrahedra, and  a cornercorner with one O(7)Zn2In2 trigonal pyramid. In the seventeenth O site, O(17) is bonded to one Zn(8), one In(3), one In(5), and one In(8) atom to form distorted OZnIn3 tetrahedra that share  a cornercorner with one O(10)Zn3In tetrahedra,  a cornercorner with one O(15)Zn3In tetrahedra,  a cornercorner with one O(22)Zn3In tetrahedra,  a cornercorner with one O(8)ZnIn3 tetrahedra, corners with two equivalent O(6)In4 tetrahedra, corners with two equivalent O(12)ZnIn3 tetrahedra, corners with two equivalent O(20)ZnIn3 tetrahedra, corners with two equivalent O(24)ZnIn3 tetrahedra,  an edgeedge with one O(14)ZnIn3 tetrahedra,  an edgeedge with one O(2)ZnIn3 tetrahedra, and  an edgeedge with one O(8)ZnIn3 tetrahedra. In the eighteenth O site, O(18) is bonded in a trigonal planar geometry to one Zn(10), one Zn(4), and one In(7) atom. In the nineteenth O site, O(19) is bonded to one Zn(10), one Zn(11), one Zn(7), and one In(2) atom to form distorted OZn3In tetrahedra that share  a cornercorner with one O(22)Zn3In tetrahedra,  a cornercorner with one O(3)Zn3In tetrahedra,  a cornercorner with one O(16)Zn4 tetrahedra,  a cornercorner with one O(21)Zn4 tetrahedra, corners with two equivalent O(13)Zn2In2 tetrahedra, corners with two equivalent O(1)Zn2In2 trigonal pyramids, corners with two equivalent O(7)Zn2In2 trigonal pyramids, and  an edgeedge with one O(5)Zn3In trigonal pyramid. In the twentieth O site, O(20) is bonded to one Zn(9), one In(1), one In(3), and one In(8) atom to form OZnIn3 tetrahedra that share  a cornercorner with one O(6)In4 tetrahedra,  a cornercorner with one O(3)Zn3In tetrahedra,  a cornercorner with one O(16)Zn4 tetrahedra,  a cornercorner with one O(21)Zn4 tetrahedra, corners with two equivalent O(14)ZnIn3 tetrahedra, corners with two equivalent O(17)ZnIn3 tetrahedra, corners with two equivalent O(2)ZnIn3 tetrahedra, corners with two equivalent O(8)ZnIn3 tetrahedra,  an edgeedge with one O(6)In4 tetrahedra,  an edgeedge with one O(12)ZnIn3 tetrahedra, and  an edgeedge with one O(24)ZnIn3 tetrahedra. In the twenty-first O site, O(21) is bonded to one Zn(1), one Zn(11), one Zn(6), and one Zn(9) atom to form OZn4 tetrahedra that share  a cornercorner with one O(13)Zn2In2 tetrahedra,  a cornercorner with one O(19)Zn3In tetrahedra,  a cornercorner with one O(14)ZnIn3 tetrahedra,  a cornercorner with one O(2)ZnIn3 tetrahedra,  a cornercorner with one O(20)ZnIn3 tetrahedra, corners with two equivalent O(3)Zn3In tetrahedra, corners with two equivalent O(9)Zn3In tetrahedra, corners with two equivalent O(16)Zn4 tetrahedra, and  a cornercorner with one O(1)Zn2In2 trigonal pyramid. In the twenty-second O site, O(22) is bonded to one Zn(10), one Zn(12), one Zn(8), and one In(4) atom to form OZn3In tetrahedra that share  a cornercorner with one O(6)In4 tetrahedra,  a cornercorner with one O(19)Zn3In tetrahedra,  a cornercorner with one O(17)ZnIn3 tetrahedra,  a cornercorner with one O(24)ZnIn3 tetrahedra, corners with two equivalent O(10)Zn3In tetrahedra, corners with two equivalent O(15)Zn3In tetrahedra, corners with two equivalent O(4)Zn3In tetrahedra, and  a cornercorner with one O(5)Zn3In trigonal pyramid. In the twenty-third O site, O(23) is bonded in a trigonal planar geometry to one Zn(10), one Zn(2), and one In(7) atom. In the twenty-fourth O site, O(24) is bonded to one Zn(12), one In(1), one In(5), and one In(8) atom to form distorted OZnIn3 tetrahedra that share  a cornercorner with one O(15)Zn3In tetrahedra,  a cornercorner with one O(22)Zn3In tetrahedra,  a cornercorner with one O(4)Zn3In tetrahedra,  a cornercorner with one O(14)ZnIn3 tetrahedra, corners with two equivalent O(6)In4 tetrahedra, corners with two equivalent O(12)ZnIn3 tetrahedra, corners with two equivalent O(17)ZnIn3 tetrahedra, corners with two equivalent O(2)ZnIn3 tetrahedra,  an edgeedge with one O(14)ZnIn3 tetrahedra,  an edgeedge with one O(20)ZnIn3 tetrahedra, and  an edgeedge with one O(8)ZnIn3 tetrahedra.