Ca3In2O6 crystallizes in the orthorhombic Pmc2_1 space group. There are six inequivalent Ca sites. In the first Ca site, Ca(1) is bonded to one O(1), one O(5), two equivalent O(6), and two equivalent O(8) atoms to form CaO6 octahedra that share  a cornercorner with one Ca(4)O6 octahedra, corners with two equivalent In(1)O6 octahedra, corners with two equivalent In(4)O5 square pyramids,  an edgeedge with one In(1)O6 octahedra, edges with two equivalent Ca(1)O6 octahedra, edges with two equivalent Ca(3)O6 octahedra, edges with two equivalent In(2)O6 octahedra, and edges with two equivalent In(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-4°. In the second Ca site, Ca(2) is bonded in a 7-coordinate geometry to one O(2), two equivalent O(5), two equivalent O(7), and two equivalent O(9) atoms. In the third Ca site, Ca(3) is bonded to one O(3), one O(6), two equivalent O(1), and two equivalent O(7) atoms to form CaO6 octahedra that share corners with two equivalent In(2)O6 octahedra, corners with two equivalent In(3)O6 octahedra,  an edgeedge with one In(3)O6 octahedra, edges with two equivalent Ca(1)O6 octahedra, edges with two equivalent Ca(3)O6 octahedra, edges with two equivalent Ca(4)O6 octahedra, and edges with two equivalent In(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-61°. In the fourth Ca site, Ca(4) is bonded to one O(1), one O(10), two equivalent O(11), and two equivalent O(3) atoms to form distorted CaO6 octahedra that share  a cornercorner with one Ca(1)O6 octahedra, corners with two equivalent Ca(6)O6 octahedra, corners with two equivalent In(2)O6 octahedra, corners with two equivalent In(4)O5 square pyramids,  an edgeedge with one Ca(6)O6 octahedra, edges with two equivalent Ca(3)O6 octahedra, edges with two equivalent Ca(4)O6 octahedra, and edges with two equivalent In(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-57°. In the fifth Ca site, Ca(5) is bonded in a 7-coordinate geometry to one O(2), two equivalent O(10), two equivalent O(12), and two equivalent O(4) atoms. In the sixth Ca site, Ca(6) is bonded to one O(12), one O(9), two equivalent O(11), and two equivalent O(2) atoms to form CaO6 octahedra that share corners with two equivalent Ca(4)O6 octahedra, corners with two equivalent In(1)O6 octahedra, corners with two equivalent In(4)O5 square pyramids,  an edgeedge with one Ca(4)O6 octahedra,  an edgeedge with one In(1)O6 octahedra, edges with two equivalent Ca(6)O6 octahedra, and edges with two equivalent In(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-10°. There are four inequivalent In sites. In the first In site, In(1) is bonded to one O(4), one O(7), two equivalent O(2), and two equivalent O(6) atoms to form InO6 octahedra that share corners with two equivalent Ca(1)O6 octahedra, corners with two equivalent Ca(6)O6 octahedra,  an edgeedge with one Ca(1)O6 octahedra,  an edgeedge with one Ca(6)O6 octahedra, edges with two equivalent Ca(3)O6 octahedra, edges with two equivalent In(1)O6 octahedra, and edges with two equivalent In(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-5°. In the second In site, In(2) is bonded to one O(3), one O(6), two equivalent O(4), and two equivalent O(5) atoms to form distorted InO6 octahedra that share corners with two equivalent Ca(3)O6 octahedra, corners with two equivalent Ca(4)O6 octahedra, edges with two equivalent Ca(1)O6 octahedra, edges with two equivalent In(1)O6 octahedra, and edges with two equivalent In(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-61°. In the third In site, In(3) is bonded to one O(11), one O(8), two equivalent O(1), and two equivalent O(12) atoms to form InO6 octahedra that share corners with two equivalent Ca(3)O6 octahedra,  a cornercorner with one In(4)O5 square pyramid,  an edgeedge with one Ca(3)O6 octahedra, edges with two equivalent Ca(1)O6 octahedra, edges with two equivalent Ca(4)O6 octahedra, edges with two equivalent Ca(6)O6 octahedra, and edges with two equivalent In(3)O6 octahedra. The corner-sharing octahedral tilt angles are 4°. In the fourth In site, In(4) is bonded to one O(8), two equivalent O(10), and two equivalent O(9) atoms to form distorted InO5 square pyramids that share  a cornercorner with one In(3)O6 octahedra, corners with two equivalent Ca(1)O6 octahedra, corners with two equivalent Ca(4)O6 octahedra, corners with two equivalent Ca(6)O6 octahedra, and edges with two equivalent In(4)O5 square pyramids. The corner-sharing octahedral tilt angles range from 59-79°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Ca(1), one Ca(4), two equivalent Ca(3), and two equivalent In(3) atoms to form OCa4In2 octahedra that share corners with two equivalent O(12)Ca3In2 square pyramids,  a cornercorner with one O(10)Ca3In2 trigonal bipyramid,  a cornercorner with one O(5)Ca3In2 trigonal bipyramid, corners with two equivalent O(7)Ca4In trigonal bipyramids, edges with two equivalent O(6)Ca3In3 octahedra, edges with two equivalent O(1)Ca4In2 octahedra,  an edgeedge with one O(12)Ca3In2 square pyramid, edges with two equivalent O(11)Ca4In square pyramids, edges with two equivalent O(8)Ca2In2 tetrahedra,  an edgeedge with one O(7)Ca4In trigonal bipyramid, and edges with two equivalent O(3)Ca3In trigonal pyramids. In the second O site, O(2) is bonded to one Ca(2), one Ca(5), two equivalent Ca(6), and two equivalent In(1) atoms to form distorted OCa4In2 octahedra that share corners with two equivalent O(6)Ca3In3 octahedra, corners with two equivalent O(11)Ca4In square pyramids, corners with two equivalent O(10)Ca3In2 trigonal bipyramids, corners with two equivalent O(5)Ca3In2 trigonal bipyramids,  an edgeedge with one O(6)Ca3In3 octahedra, edges with two equivalent O(2)Ca4In2 octahedra,  an edgeedge with one O(11)Ca4In square pyramid, edges with two equivalent O(4)Ca2In3 square pyramids, edges with two equivalent O(12)Ca3In2 square pyramids, edges with two equivalent O(9)Ca3In2 square pyramids, and edges with two equivalent O(7)Ca4In trigonal bipyramids. The corner-sharing octahedral tilt angles are 3°. In the third O site, O(3) is bonded to one Ca(3), two equivalent Ca(4), and one In(2) atom to form distorted OCa3In trigonal pyramids that share corners with two equivalent O(6)Ca3In3 octahedra, corners with two equivalent O(4)Ca2In3 square pyramids, corners with two equivalent O(11)Ca4In square pyramids, corners with two equivalent O(10)Ca3In2 trigonal bipyramids, corners with two equivalent O(5)Ca3In2 trigonal bipyramids, corners with two equivalent O(7)Ca4In trigonal bipyramids, corners with two equivalent O(3)Ca3In trigonal pyramids, edges with two equivalent O(1)Ca4In2 octahedra, and  an edgeedge with one O(11)Ca4In square pyramid. The corner-sharing octahedral tilt angles range from 1-8°. In the fourth O site, O(4) is bonded to two equivalent Ca(5), one In(1), and two equivalent In(2) atoms to form OCa2In3 square pyramids that share corners with two equivalent O(12)Ca3In2 square pyramids,  a cornercorner with one O(7)Ca4In trigonal bipyramid, corners with two equivalent O(10)Ca3In2 trigonal bipyramids, corners with two equivalent O(5)Ca3In2 trigonal bipyramids, corners with two equivalent O(3)Ca3In trigonal pyramids, edges with two equivalent O(6)Ca3In3 octahedra, edges with two equivalent O(2)Ca4In2 octahedra,  an edgeedge with one O(12)Ca3In2 square pyramid, edges with two equivalent O(4)Ca2In3 square pyramids,  an edgeedge with one O(10)Ca3In2 trigonal bipyramid, and  an edgeedge with one O(5)Ca3In2 trigonal bipyramid. In the fifth O site, O(5) is bonded to one Ca(1), two equivalent Ca(2), and two equivalent In(2) atoms to form distorted OCa3In2 trigonal bipyramids that share  a cornercorner with one O(1)Ca4In2 octahedra, corners with two equivalent O(2)Ca4In2 octahedra, corners with two equivalent O(4)Ca2In3 square pyramids, corners with two equivalent O(9)Ca3In2 square pyramids, corners with two equivalent O(8)Ca2In2 tetrahedra, corners with two equivalent O(7)Ca4In trigonal bipyramids, corners with two equivalent O(3)Ca3In trigonal pyramids, edges with two equivalent O(6)Ca3In3 octahedra,  an edgeedge with one O(4)Ca2In3 square pyramid,  an edgeedge with one O(9)Ca3In2 square pyramid,  an edgeedge with one O(7)Ca4In trigonal bipyramid, and edges with two equivalent O(5)Ca3In2 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 11-41°. In the sixth O site, O(6) is bonded to one Ca(3), two equivalent Ca(1), one In(2), and two equivalent In(1) atoms to form OCa3In3 octahedra that share corners with two equivalent O(2)Ca4In2 octahedra, corners with two equivalent O(8)Ca2In2 tetrahedra, corners with two equivalent O(3)Ca3In trigonal pyramids,  an edgeedge with one O(2)Ca4In2 octahedra, edges with two equivalent O(6)Ca3In3 octahedra, edges with two equivalent O(1)Ca4In2 octahedra, edges with two equivalent O(4)Ca2In3 square pyramids,  an edgeedge with one O(8)Ca2In2 tetrahedra, edges with two equivalent O(5)Ca3In2 trigonal bipyramids, and edges with two equivalent O(7)Ca4In trigonal bipyramids. The corner-sharing octahedral tilt angles are 3°. In the seventh O site, O(7) is bonded to two equivalent Ca(2), two equivalent Ca(3), and one In(1) atom to form distorted OCa4In trigonal bipyramids that share corners with two equivalent O(1)Ca4In2 octahedra,  a cornercorner with one O(4)Ca2In3 square pyramid, corners with two equivalent O(9)Ca3In2 square pyramids, corners with two equivalent O(5)Ca3In2 trigonal bipyramids, corners with two equivalent O(3)Ca3In trigonal pyramids,  an edgeedge with one O(1)Ca4In2 octahedra, edges with two equivalent O(6)Ca3In3 octahedra, edges with two equivalent O(2)Ca4In2 octahedra,  an edgeedge with one O(9)Ca3In2 square pyramid,  an edgeedge with one O(5)Ca3In2 trigonal bipyramid, and edges with two equivalent O(7)Ca4In trigonal bipyramids. The corner-sharing octahedral tilt angles are 11°. In the eighth O site, O(8) is bonded to two equivalent Ca(1), one In(3), and one In(4) atom to form distorted OCa2In2 tetrahedra that share corners with two equivalent O(6)Ca3In3 octahedra,  a cornercorner with one O(11)Ca4In square pyramid, corners with two equivalent O(12)Ca3In2 square pyramids, corners with two equivalent O(9)Ca3In2 square pyramids, corners with two equivalent O(8)Ca2In2 tetrahedra, corners with two equivalent O(10)Ca3In2 trigonal bipyramids, corners with two equivalent O(5)Ca3In2 trigonal bipyramids,  an edgeedge with one O(6)Ca3In3 octahedra, and edges with two equivalent O(1)Ca4In2 octahedra. The corner-sharing octahedral tilt angles are 13°. In the ninth O site, O(9) is bonded to one Ca(6), two equivalent Ca(2), and two equivalent In(4) atoms to form OCa3In2 square pyramids that share  a cornercorner with one O(12)Ca3In2 square pyramid, corners with two equivalent O(11)Ca4In square pyramids, corners with two equivalent O(8)Ca2In2 tetrahedra, corners with two equivalent O(10)Ca3In2 trigonal bipyramids, corners with two equivalent O(5)Ca3In2 trigonal bipyramids, corners with two equivalent O(7)Ca4In trigonal bipyramids, edges with two equivalent O(2)Ca4In2 octahedra, edges with two equivalent O(9)Ca3In2 square pyramids,  an edgeedge with one O(10)Ca3In2 trigonal bipyramid,  an edgeedge with one O(5)Ca3In2 trigonal bipyramid, and  an edgeedge with one O(7)Ca4In trigonal bipyramid. In the tenth O site, O(10) is bonded to one Ca(4), two equivalent Ca(5), and two equivalent In(4) atoms to form distorted OCa3In2 trigonal bipyramids that share  a cornercorner with one O(1)Ca4In2 octahedra, corners with two equivalent O(2)Ca4In2 octahedra, corners with two equivalent O(4)Ca2In3 square pyramids, corners with two equivalent O(12)Ca3In2 square pyramids, corners with two equivalent O(9)Ca3In2 square pyramids, corners with two equivalent O(11)Ca4In square pyramids, corners with two equivalent O(8)Ca2In2 tetrahedra, corners with two equivalent O(3)Ca3In trigonal pyramids,  an edgeedge with one O(4)Ca2In3 square pyramid,  an edgeedge with one O(12)Ca3In2 square pyramid,  an edgeedge with one O(9)Ca3In2 square pyramid, and edges with two equivalent O(10)Ca3In2 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 14-40°. In the eleventh O site, O(11) is bonded to two equivalent Ca(4), two equivalent Ca(6), and one In(3) atom to form OCa4In square pyramids that share corners with two equivalent O(2)Ca4In2 octahedra, corners with two equivalent O(9)Ca3In2 square pyramids,  a cornercorner with one O(8)Ca2In2 tetrahedra, corners with two equivalent O(10)Ca3In2 trigonal bipyramids, corners with two equivalent O(3)Ca3In trigonal pyramids,  an edgeedge with one O(2)Ca4In2 octahedra, edges with two equivalent O(1)Ca4In2 octahedra, edges with two equivalent O(12)Ca3In2 square pyramids, edges with two equivalent O(11)Ca4In square pyramids, and  an edgeedge with one O(3)Ca3In trigonal pyramid. The corner-sharing octahedral tilt angles are 7°. In the twelfth O site, O(12) is bonded to one Ca(6), two equivalent Ca(5), and two equivalent In(3) atoms to form OCa3In2 square pyramids that share corners with two equivalent O(1)Ca4In2 octahedra,  a cornercorner with one O(9)Ca3In2 square pyramid, corners with two equivalent O(4)Ca2In3 square pyramids, corners with two equivalent O(8)Ca2In2 tetrahedra, corners with two equivalent O(10)Ca3In2 trigonal bipyramids,  an edgeedge with one O(1)Ca4In2 octahedra, edges with two equivalent O(2)Ca4In2 octahedra,  an edgeedge with one O(4)Ca2In3 square pyramid, edges with two equivalent O(12)Ca3In2 square pyramids, edges with two equivalent O(11)Ca4In square pyramids, and  an edgeedge with one O(10)Ca3In2 trigonal bipyramid. The corner-sharing octahedral tilt angles are 3°.
Ca3In2O6 crystallizes in the orthorhombic Pmc2_1 space group. There are six inequivalent Ca sites. In the first Ca site, Ca(1) is bonded to one O(1), one O(5), two equivalent O(6), and two equivalent O(8) atoms to form CaO6 octahedra that share  a cornercorner with one Ca(4)O6 octahedra, corners with two equivalent In(1)O6 octahedra, corners with two equivalent In(4)O5 square pyramids,  an edgeedge with one In(1)O6 octahedra, edges with two equivalent Ca(1)O6 octahedra, edges with two equivalent Ca(3)O6 octahedra, edges with two equivalent In(2)O6 octahedra, and edges with two equivalent In(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-4°. The Ca(1)-O(1) bond length is 2.58 Å. The Ca(1)-O(5) bond length is 2.32 Å. Both Ca(1)-O(6) bond lengths are 2.47 Å. Both Ca(1)-O(8) bond lengths are 2.27 Å. In the second Ca site, Ca(2) is bonded in a 7-coordinate geometry to one O(2), two equivalent O(5), two equivalent O(7), and two equivalent O(9) atoms. The Ca(2)-O(2) bond length is 2.89 Å. Both Ca(2)-O(5) bond lengths are 2.54 Å. Both Ca(2)-O(7) bond lengths are 2.38 Å. Both Ca(2)-O(9) bond lengths are 2.46 Å. In the third Ca site, Ca(3) is bonded to one O(3), one O(6), two equivalent O(1), and two equivalent O(7) atoms to form CaO6 octahedra that share corners with two equivalent In(2)O6 octahedra, corners with two equivalent In(3)O6 octahedra,  an edgeedge with one In(3)O6 octahedra, edges with two equivalent Ca(1)O6 octahedra, edges with two equivalent Ca(3)O6 octahedra, edges with two equivalent Ca(4)O6 octahedra, and edges with two equivalent In(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-61°. The Ca(3)-O(3) bond length is 2.28 Å. The Ca(3)-O(6) bond length is 2.62 Å. Both Ca(3)-O(1) bond lengths are 2.41 Å. Both Ca(3)-O(7) bond lengths are 2.33 Å. In the fourth Ca site, Ca(4) is bonded to one O(1), one O(10), two equivalent O(11), and two equivalent O(3) atoms to form distorted CaO6 octahedra that share  a cornercorner with one Ca(1)O6 octahedra, corners with two equivalent Ca(6)O6 octahedra, corners with two equivalent In(2)O6 octahedra, corners with two equivalent In(4)O5 square pyramids,  an edgeedge with one Ca(6)O6 octahedra, edges with two equivalent Ca(3)O6 octahedra, edges with two equivalent Ca(4)O6 octahedra, and edges with two equivalent In(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-57°. The Ca(4)-O(1) bond length is 2.63 Å. The Ca(4)-O(10) bond length is 2.31 Å. Both Ca(4)-O(11) bond lengths are 2.39 Å. Both Ca(4)-O(3) bond lengths are 2.29 Å. In the fifth Ca site, Ca(5) is bonded in a 7-coordinate geometry to one O(2), two equivalent O(10), two equivalent O(12), and two equivalent O(4) atoms. The Ca(5)-O(2) bond length is 2.73 Å. Both Ca(5)-O(10) bond lengths are 2.55 Å. Both Ca(5)-O(12) bond lengths are 2.41 Å. Both Ca(5)-O(4) bond lengths are 2.45 Å. In the sixth Ca site, Ca(6) is bonded to one O(12), one O(9), two equivalent O(11), and two equivalent O(2) atoms to form CaO6 octahedra that share corners with two equivalent Ca(4)O6 octahedra, corners with two equivalent In(1)O6 octahedra, corners with two equivalent In(4)O5 square pyramids,  an edgeedge with one Ca(4)O6 octahedra,  an edgeedge with one In(1)O6 octahedra, edges with two equivalent Ca(6)O6 octahedra, and edges with two equivalent In(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-10°. The Ca(6)-O(12) bond length is 2.30 Å. The Ca(6)-O(9) bond length is 2.34 Å. Both Ca(6)-O(11) bond lengths are 2.35 Å. Both Ca(6)-O(2) bond lengths are 2.39 Å. There are four inequivalent In sites. In the first In site, In(1) is bonded to one O(4), one O(7), two equivalent O(2), and two equivalent O(6) atoms to form InO6 octahedra that share corners with two equivalent Ca(1)O6 octahedra, corners with two equivalent Ca(6)O6 octahedra,  an edgeedge with one Ca(1)O6 octahedra,  an edgeedge with one Ca(6)O6 octahedra, edges with two equivalent Ca(3)O6 octahedra, edges with two equivalent In(1)O6 octahedra, and edges with two equivalent In(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-5°. The In(1)-O(4) bond length is 2.22 Å. The In(1)-O(7) bond length is 2.15 Å. Both In(1)-O(2) bond lengths are 2.25 Å. Both In(1)-O(6) bond lengths are 2.29 Å. In the second In site, In(2) is bonded to one O(3), one O(6), two equivalent O(4), and two equivalent O(5) atoms to form distorted InO6 octahedra that share corners with two equivalent Ca(3)O6 octahedra, corners with two equivalent Ca(4)O6 octahedra, edges with two equivalent Ca(1)O6 octahedra, edges with two equivalent In(1)O6 octahedra, and edges with two equivalent In(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-61°. The In(2)-O(3) bond length is 2.12 Å. The In(2)-O(6) bond length is 2.53 Å. Both In(2)-O(4) bond lengths are 2.28 Å. Both In(2)-O(5) bond lengths are 2.22 Å. In the third In site, In(3) is bonded to one O(11), one O(8), two equivalent O(1), and two equivalent O(12) atoms to form InO6 octahedra that share corners with two equivalent Ca(3)O6 octahedra,  a cornercorner with one In(4)O5 square pyramid,  an edgeedge with one Ca(3)O6 octahedra, edges with two equivalent Ca(1)O6 octahedra, edges with two equivalent Ca(4)O6 octahedra, edges with two equivalent Ca(6)O6 octahedra, and edges with two equivalent In(3)O6 octahedra. The corner-sharing octahedral tilt angles are 4°. The In(3)-O(11) bond length is 2.30 Å. The In(3)-O(8) bond length is 2.21 Å. Both In(3)-O(1) bond lengths are 2.28 Å. Both In(3)-O(12) bond lengths are 2.24 Å. In the fourth In site, In(4) is bonded to one O(8), two equivalent O(10), and two equivalent O(9) atoms to form distorted InO5 square pyramids that share  a cornercorner with one In(3)O6 octahedra, corners with two equivalent Ca(1)O6 octahedra, corners with two equivalent Ca(4)O6 octahedra, corners with two equivalent Ca(6)O6 octahedra, and edges with two equivalent In(4)O5 square pyramids. The corner-sharing octahedral tilt angles range from 59-79°. The In(4)-O(8) bond length is 2.13 Å. Both In(4)-O(10) bond lengths are 2.21 Å. Both In(4)-O(9) bond lengths are 2.25 Å. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Ca(1), one Ca(4), two equivalent Ca(3), and two equivalent In(3) atoms to form OCa4In2 octahedra that share corners with two equivalent O(12)Ca3In2 square pyramids,  a cornercorner with one O(10)Ca3In2 trigonal bipyramid,  a cornercorner with one O(5)Ca3In2 trigonal bipyramid, corners with two equivalent O(7)Ca4In trigonal bipyramids, edges with two equivalent O(6)Ca3In3 octahedra, edges with two equivalent O(1)Ca4In2 octahedra,  an edgeedge with one O(12)Ca3In2 square pyramid, edges with two equivalent O(11)Ca4In square pyramids, edges with two equivalent O(8)Ca2In2 tetrahedra,  an edgeedge with one O(7)Ca4In trigonal bipyramid, and edges with two equivalent O(3)Ca3In trigonal pyramids. In the second O site, O(2) is bonded to one Ca(2), one Ca(5), two equivalent Ca(6), and two equivalent In(1) atoms to form distorted OCa4In2 octahedra that share corners with two equivalent O(6)Ca3In3 octahedra, corners with two equivalent O(11)Ca4In square pyramids, corners with two equivalent O(10)Ca3In2 trigonal bipyramids, corners with two equivalent O(5)Ca3In2 trigonal bipyramids,  an edgeedge with one O(6)Ca3In3 octahedra, edges with two equivalent O(2)Ca4In2 octahedra,  an edgeedge with one O(11)Ca4In square pyramid, edges with two equivalent O(4)Ca2In3 square pyramids, edges with two equivalent O(12)Ca3In2 square pyramids, edges with two equivalent O(9)Ca3In2 square pyramids, and edges with two equivalent O(7)Ca4In trigonal bipyramids. The corner-sharing octahedral tilt angles are 3°. In the third O site, O(3) is bonded to one Ca(3), two equivalent Ca(4), and one In(2) atom to form distorted OCa3In trigonal pyramids that share corners with two equivalent O(6)Ca3In3 octahedra, corners with two equivalent O(4)Ca2In3 square pyramids, corners with two equivalent O(11)Ca4In square pyramids, corners with two equivalent O(10)Ca3In2 trigonal bipyramids, corners with two equivalent O(5)Ca3In2 trigonal bipyramids, corners with two equivalent O(7)Ca4In trigonal bipyramids, corners with two equivalent O(3)Ca3In trigonal pyramids, edges with two equivalent O(1)Ca4In2 octahedra, and  an edgeedge with one O(11)Ca4In square pyramid. The corner-sharing octahedral tilt angles range from 1-8°. In the fourth O site, O(4) is bonded to two equivalent Ca(5), one In(1), and two equivalent In(2) atoms to form OCa2In3 square pyramids that share corners with two equivalent O(12)Ca3In2 square pyramids,  a cornercorner with one O(7)Ca4In trigonal bipyramid, corners with two equivalent O(10)Ca3In2 trigonal bipyramids, corners with two equivalent O(5)Ca3In2 trigonal bipyramids, corners with two equivalent O(3)Ca3In trigonal pyramids, edges with two equivalent O(6)Ca3In3 octahedra, edges with two equivalent O(2)Ca4In2 octahedra,  an edgeedge with one O(12)Ca3In2 square pyramid, edges with two equivalent O(4)Ca2In3 square pyramids,  an edgeedge with one O(10)Ca3In2 trigonal bipyramid, and  an edgeedge with one O(5)Ca3In2 trigonal bipyramid. In the fifth O site, O(5) is bonded to one Ca(1), two equivalent Ca(2), and two equivalent In(2) atoms to form distorted OCa3In2 trigonal bipyramids that share  a cornercorner with one O(1)Ca4In2 octahedra, corners with two equivalent O(2)Ca4In2 octahedra, corners with two equivalent O(4)Ca2In3 square pyramids, corners with two equivalent O(9)Ca3In2 square pyramids, corners with two equivalent O(8)Ca2In2 tetrahedra, corners with two equivalent O(7)Ca4In trigonal bipyramids, corners with two equivalent O(3)Ca3In trigonal pyramids, edges with two equivalent O(6)Ca3In3 octahedra,  an edgeedge with one O(4)Ca2In3 square pyramid,  an edgeedge with one O(9)Ca3In2 square pyramid,  an edgeedge with one O(7)Ca4In trigonal bipyramid, and edges with two equivalent O(5)Ca3In2 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 11-41°. In the sixth O site, O(6) is bonded to one Ca(3), two equivalent Ca(1), one In(2), and two equivalent In(1) atoms to form OCa3In3 octahedra that share corners with two equivalent O(2)Ca4In2 octahedra, corners with two equivalent O(8)Ca2In2 tetrahedra, corners with two equivalent O(3)Ca3In trigonal pyramids,  an edgeedge with one O(2)Ca4In2 octahedra, edges with two equivalent O(6)Ca3In3 octahedra, edges with two equivalent O(1)Ca4In2 octahedra, edges with two equivalent O(4)Ca2In3 square pyramids,  an edgeedge with one O(8)Ca2In2 tetrahedra, edges with two equivalent O(5)Ca3In2 trigonal bipyramids, and edges with two equivalent O(7)Ca4In trigonal bipyramids. The corner-sharing octahedral tilt angles are 3°. In the seventh O site, O(7) is bonded to two equivalent Ca(2), two equivalent Ca(3), and one In(1) atom to form distorted OCa4In trigonal bipyramids that share corners with two equivalent O(1)Ca4In2 octahedra,  a cornercorner with one O(4)Ca2In3 square pyramid, corners with two equivalent O(9)Ca3In2 square pyramids, corners with two equivalent O(5)Ca3In2 trigonal bipyramids, corners with two equivalent O(3)Ca3In trigonal pyramids,  an edgeedge with one O(1)Ca4In2 octahedra, edges with two equivalent O(6)Ca3In3 octahedra, edges with two equivalent O(2)Ca4In2 octahedra,  an edgeedge with one O(9)Ca3In2 square pyramid,  an edgeedge with one O(5)Ca3In2 trigonal bipyramid, and edges with two equivalent O(7)Ca4In trigonal bipyramids. The corner-sharing octahedral tilt angles are 11°. In the eighth O site, O(8) is bonded to two equivalent Ca(1), one In(3), and one In(4) atom to form distorted OCa2In2 tetrahedra that share corners with two equivalent O(6)Ca3In3 octahedra,  a cornercorner with one O(11)Ca4In square pyramid, corners with two equivalent O(12)Ca3In2 square pyramids, corners with two equivalent O(9)Ca3In2 square pyramids, corners with two equivalent O(8)Ca2In2 tetrahedra, corners with two equivalent O(10)Ca3In2 trigonal bipyramids, corners with two equivalent O(5)Ca3In2 trigonal bipyramids,  an edgeedge with one O(6)Ca3In3 octahedra, and edges with two equivalent O(1)Ca4In2 octahedra. The corner-sharing octahedral tilt angles are 13°. In the ninth O site, O(9) is bonded to one Ca(6), two equivalent Ca(2), and two equivalent In(4) atoms to form OCa3In2 square pyramids that share  a cornercorner with one O(12)Ca3In2 square pyramid, corners with two equivalent O(11)Ca4In square pyramids, corners with two equivalent O(8)Ca2In2 tetrahedra, corners with two equivalent O(10)Ca3In2 trigonal bipyramids, corners with two equivalent O(5)Ca3In2 trigonal bipyramids, corners with two equivalent O(7)Ca4In trigonal bipyramids, edges with two equivalent O(2)Ca4In2 octahedra, edges with two equivalent O(9)Ca3In2 square pyramids,  an edgeedge with one O(10)Ca3In2 trigonal bipyramid,  an edgeedge with one O(5)Ca3In2 trigonal bipyramid, and  an edgeedge with one O(7)Ca4In trigonal bipyramid. In the tenth O site, O(10) is bonded to one Ca(4), two equivalent Ca(5), and two equivalent In(4) atoms to form distorted OCa3In2 trigonal bipyramids that share  a cornercorner with one O(1)Ca4In2 octahedra, corners with two equivalent O(2)Ca4In2 octahedra, corners with two equivalent O(4)Ca2In3 square pyramids, corners with two equivalent O(12)Ca3In2 square pyramids, corners with two equivalent O(9)Ca3In2 square pyramids, corners with two equivalent O(11)Ca4In square pyramids, corners with two equivalent O(8)Ca2In2 tetrahedra, corners with two equivalent O(3)Ca3In trigonal pyramids,  an edgeedge with one O(4)Ca2In3 square pyramid,  an edgeedge with one O(12)Ca3In2 square pyramid,  an edgeedge with one O(9)Ca3In2 square pyramid, and edges with two equivalent O(10)Ca3In2 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 14-40°. In the eleventh O site, O(11) is bonded to two equivalent Ca(4), two equivalent Ca(6), and one In(3) atom to form OCa4In square pyramids that share corners with two equivalent O(2)Ca4In2 octahedra, corners with two equivalent O(9)Ca3In2 square pyramids,  a cornercorner with one O(8)Ca2In2 tetrahedra, corners with two equivalent O(10)Ca3In2 trigonal bipyramids, corners with two equivalent O(3)Ca3In trigonal pyramids,  an edgeedge with one O(2)Ca4In2 octahedra, edges with two equivalent O(1)Ca4In2 octahedra, edges with two equivalent O(12)Ca3In2 square pyramids, edges with two equivalent O(11)Ca4In square pyramids, and  an edgeedge with one O(3)Ca3In trigonal pyramid. The corner-sharing octahedral tilt angles are 7°. In the twelfth O site, O(12) is bonded to one Ca(6), two equivalent Ca(5), and two equivalent In(3) atoms to form OCa3In2 square pyramids that share corners with two equivalent O(1)Ca4In2 octahedra,  a cornercorner with one O(9)Ca3In2 square pyramid, corners with two equivalent O(4)Ca2In3 square pyramids, corners with two equivalent O(8)Ca2In2 tetrahedra, corners with two equivalent O(10)Ca3In2 trigonal bipyramids,  an edgeedge with one O(1)Ca4In2 octahedra, edges with two equivalent O(2)Ca4In2 octahedra,  an edgeedge with one O(4)Ca2In3 square pyramid, edges with two equivalent O(12)Ca3In2 square pyramids, edges with two equivalent O(11)Ca4In square pyramids, and  an edgeedge with one O(10)Ca3In2 trigonal bipyramid. The corner-sharing octahedral tilt angles are 3°.