MgCuIn2Ga2O8 is Aluminum carbonitride-derived structured and crystallizes in the monoclinic Pm space group. Mg(1) is bonded to one O(1), one O(3), one O(7), and two equivalent O(2) atoms to form MgO5 trigonal bipyramids that share  a cornercorner with one In(2)O6 octahedra, corners with two equivalent In(1)O6 octahedra, corners with two equivalent Mg(1)O5 trigonal bipyramids, corners with four equivalent Ga(2)O5 trigonal bipyramids,  an edgeedge with one Cu(1)O5 trigonal bipyramid, and edges with two equivalent Ga(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 61-63°. Cu(1) is bonded to one O(1), one O(3), one O(5), and two equivalent O(4) atoms to form CuO5 trigonal bipyramids that share  a cornercorner with one In(2)O6 octahedra, corners with two equivalent In(1)O6 octahedra, corners with two equivalent Cu(1)O5 trigonal bipyramids, corners with four equivalent Ga(1)O5 trigonal bipyramids,  an edgeedge with one Mg(1)O5 trigonal bipyramid, and edges with two equivalent Ga(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 61-63°. There are two inequivalent In sites. In the first In site, In(1) is bonded to one O(6), one O(8), two equivalent O(5), and two equivalent O(7) atoms to form InO6 octahedra that share  a cornercorner with one Ga(1)O5 trigonal bipyramid,  a cornercorner with one Ga(2)O5 trigonal bipyramid, corners with two equivalent Mg(1)O5 trigonal bipyramids, corners with two equivalent Cu(1)O5 trigonal bipyramids, edges with two equivalent In(1)O6 octahedra, and edges with four equivalent In(2)O6 octahedra. In the second In site, In(2) is bonded to one O(5), one O(7), two equivalent O(6), and two equivalent O(8) atoms to form InO6 octahedra that share  a cornercorner with one Mg(1)O5 trigonal bipyramid,  a cornercorner with one Cu(1)O5 trigonal bipyramid, corners with two equivalent Ga(1)O5 trigonal bipyramids, corners with two equivalent Ga(2)O5 trigonal bipyramids, edges with two equivalent In(2)O6 octahedra, and edges with four equivalent In(1)O6 octahedra. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to one O(2), one O(4), one O(6), and two equivalent O(3) atoms to form GaO5 trigonal bipyramids that share  a cornercorner with one In(1)O6 octahedra, corners with two equivalent In(2)O6 octahedra, corners with two equivalent Ga(1)O5 trigonal bipyramids, corners with four equivalent Cu(1)O5 trigonal bipyramids,  an edgeedge with one Ga(2)O5 trigonal bipyramid, and edges with two equivalent Mg(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 61-62°. In the second Ga site, Ga(2) is bonded to one O(2), one O(4), one O(8), and two equivalent O(1) atoms to form GaO5 trigonal bipyramids that share  a cornercorner with one In(1)O6 octahedra, corners with two equivalent In(2)O6 octahedra, corners with two equivalent Ga(2)O5 trigonal bipyramids, corners with four equivalent Mg(1)O5 trigonal bipyramids,  an edgeedge with one Ga(1)O5 trigonal bipyramid, and edges with two equivalent Cu(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 59-62°. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one Cu(1), and two equivalent Ga(2) atoms to form OMgGa2Cu trigonal pyramids that share  a cornercorner with one O(5)In3Cu tetrahedra,  a cornercorner with one O(7)MgIn3 tetrahedra, corners with two equivalent O(8)In3Ga tetrahedra, corners with two equivalent O(1)MgGa2Cu trigonal pyramids, corners with four equivalent O(2)Mg2Ga2 trigonal pyramids,  an edgeedge with one O(3)MgGa2Cu trigonal pyramid, and edges with two equivalent O(4)Ga2Cu2 trigonal pyramids. In the second O site, O(2) is bonded to two equivalent Mg(1), one Ga(1), and one Ga(2) atom to form OMg2Ga2 trigonal pyramids that share  a cornercorner with one O(6)In3Ga tetrahedra,  a cornercorner with one O(8)In3Ga tetrahedra, corners with two equivalent O(7)MgIn3 tetrahedra, corners with two equivalent O(2)Mg2Ga2 trigonal pyramids, corners with four equivalent O(1)MgGa2Cu trigonal pyramids,  an edgeedge with one O(4)Ga2Cu2 trigonal pyramid, and edges with two equivalent O(3)MgGa2Cu trigonal pyramids. In the third O site, O(3) is bonded to one Mg(1), one Cu(1), and two equivalent Ga(1) atoms to form OMgGa2Cu trigonal pyramids that share  a cornercorner with one O(5)In3Cu tetrahedra,  a cornercorner with one O(7)MgIn3 tetrahedra, corners with two equivalent O(6)In3Ga tetrahedra, corners with two equivalent O(3)MgGa2Cu trigonal pyramids, corners with four equivalent O(4)Ga2Cu2 trigonal pyramids,  an edgeedge with one O(1)MgGa2Cu trigonal pyramid, and edges with two equivalent O(2)Mg2Ga2 trigonal pyramids. In the fourth O site, O(4) is bonded to two equivalent Cu(1), one Ga(1), and one Ga(2) atom to form OGa2Cu2 trigonal pyramids that share  a cornercorner with one O(6)In3Ga tetrahedra,  a cornercorner with one O(8)In3Ga tetrahedra, corners with two equivalent O(5)In3Cu tetrahedra, corners with two equivalent O(4)Ga2Cu2 trigonal pyramids, corners with four equivalent O(3)MgGa2Cu trigonal pyramids,  an edgeedge with one O(2)Mg2Ga2 trigonal pyramid, and edges with two equivalent O(1)MgGa2Cu trigonal pyramids. In the fifth O site, O(5) is bonded to one Cu(1), one In(2), and two equivalent In(1) atoms to form OIn3Cu tetrahedra that share corners with two equivalent O(5)In3Cu tetrahedra, corners with three equivalent O(7)MgIn3 tetrahedra, corners with four equivalent O(6)In3Ga tetrahedra,  a cornercorner with one O(1)MgGa2Cu trigonal pyramid,  a cornercorner with one O(3)MgGa2Cu trigonal pyramid, corners with two equivalent O(4)Ga2Cu2 trigonal pyramids,  an edgeedge with one O(7)MgIn3 tetrahedra, and edges with two equivalent O(8)In3Ga tetrahedra. In the sixth O site, O(6) is bonded to one In(1), two equivalent In(2), and one Ga(1) atom to form distorted OIn3Ga tetrahedra that share corners with two equivalent O(6)In3Ga tetrahedra, corners with three equivalent O(8)In3Ga tetrahedra, corners with four equivalent O(5)In3Cu tetrahedra,  a cornercorner with one O(4)Ga2Cu2 trigonal pyramid,  a cornercorner with one O(2)Mg2Ga2 trigonal pyramid, corners with two equivalent O(3)MgGa2Cu trigonal pyramids,  an edgeedge with one O(8)In3Ga tetrahedra, and edges with two equivalent O(7)MgIn3 tetrahedra. In the seventh O site, O(7) is bonded to one Mg(1), one In(2), and two equivalent In(1) atoms to form OMgIn3 tetrahedra that share corners with two equivalent O(7)MgIn3 tetrahedra, corners with three equivalent O(5)In3Cu tetrahedra, corners with four equivalent O(8)In3Ga tetrahedra,  a cornercorner with one O(1)MgGa2Cu trigonal pyramid,  a cornercorner with one O(3)MgGa2Cu trigonal pyramid, corners with two equivalent O(2)Mg2Ga2 trigonal pyramids,  an edgeedge with one O(5)In3Cu tetrahedra, and edges with two equivalent O(6)In3Ga tetrahedra. In the eighth O site, O(8) is bonded to one In(1), two equivalent In(2), and one Ga(2) atom to form distorted OIn3Ga tetrahedra that share corners with two equivalent O(8)In3Ga tetrahedra, corners with three equivalent O(6)In3Ga tetrahedra, corners with four equivalent O(7)MgIn3 tetrahedra,  a cornercorner with one O(4)Ga2Cu2 trigonal pyramid,  a cornercorner with one O(2)Mg2Ga2 trigonal pyramid, corners with two equivalent O(1)MgGa2Cu trigonal pyramids,  an edgeedge with one O(6)In3Ga tetrahedra, and edges with two equivalent O(5)In3Cu tetrahedra.
MgCuIn2Ga2O8 is Aluminum carbonitride-derived structured and crystallizes in the monoclinic Pm space group. Mg(1) is bonded to one O(1), one O(3), one O(7), and two equivalent O(2) atoms to form MgO5 trigonal bipyramids that share  a cornercorner with one In(2)O6 octahedra, corners with two equivalent In(1)O6 octahedra, corners with two equivalent Mg(1)O5 trigonal bipyramids, corners with four equivalent Ga(2)O5 trigonal bipyramids,  an edgeedge with one Cu(1)O5 trigonal bipyramid, and edges with two equivalent Ga(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 61-63°. The Mg(1)-O(1) bond length is 2.05 Å. The Mg(1)-O(3) bond length is 2.17 Å. The Mg(1)-O(7) bond length is 2.01 Å. Both Mg(1)-O(2) bond lengths are 1.99 Å. Cu(1) is bonded to one O(1), one O(3), one O(5), and two equivalent O(4) atoms to form CuO5 trigonal bipyramids that share  a cornercorner with one In(2)O6 octahedra, corners with two equivalent In(1)O6 octahedra, corners with two equivalent Cu(1)O5 trigonal bipyramids, corners with four equivalent Ga(1)O5 trigonal bipyramids,  an edgeedge with one Mg(1)O5 trigonal bipyramid, and edges with two equivalent Ga(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 61-63°. The Cu(1)-O(1) bond length is 2.14 Å. The Cu(1)-O(3) bond length is 2.07 Å. The Cu(1)-O(5) bond length is 1.97 Å. Both Cu(1)-O(4) bond lengths are 2.01 Å. There are two inequivalent In sites. In the first In site, In(1) is bonded to one O(6), one O(8), two equivalent O(5), and two equivalent O(7) atoms to form InO6 octahedra that share  a cornercorner with one Ga(1)O5 trigonal bipyramid,  a cornercorner with one Ga(2)O5 trigonal bipyramid, corners with two equivalent Mg(1)O5 trigonal bipyramids, corners with two equivalent Cu(1)O5 trigonal bipyramids, edges with two equivalent In(1)O6 octahedra, and edges with four equivalent In(2)O6 octahedra. The In(1)-O(6) bond length is 2.26 Å. The In(1)-O(8) bond length is 2.28 Å. Both In(1)-O(5) bond lengths are 2.22 Å. Both In(1)-O(7) bond lengths are 2.21 Å. In the second In site, In(2) is bonded to one O(5), one O(7), two equivalent O(6), and two equivalent O(8) atoms to form InO6 octahedra that share  a cornercorner with one Mg(1)O5 trigonal bipyramid,  a cornercorner with one Cu(1)O5 trigonal bipyramid, corners with two equivalent Ga(1)O5 trigonal bipyramids, corners with two equivalent Ga(2)O5 trigonal bipyramids, edges with two equivalent In(2)O6 octahedra, and edges with four equivalent In(1)O6 octahedra. The In(2)-O(5) bond length is 2.21 Å. The In(2)-O(7) bond length is 2.20 Å. Both In(2)-O(6) bond lengths are 2.22 Å. Both In(2)-O(8) bond lengths are 2.24 Å. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to one O(2), one O(4), one O(6), and two equivalent O(3) atoms to form GaO5 trigonal bipyramids that share  a cornercorner with one In(1)O6 octahedra, corners with two equivalent In(2)O6 octahedra, corners with two equivalent Ga(1)O5 trigonal bipyramids, corners with four equivalent Cu(1)O5 trigonal bipyramids,  an edgeedge with one Ga(2)O5 trigonal bipyramid, and edges with two equivalent Mg(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 61-62°. The Ga(1)-O(2) bond length is 2.16 Å. The Ga(1)-O(4) bond length is 1.89 Å. The Ga(1)-O(6) bond length is 1.94 Å. Both Ga(1)-O(3) bond lengths are 1.92 Å. In the second Ga site, Ga(2) is bonded to one O(2), one O(4), one O(8), and two equivalent O(1) atoms to form GaO5 trigonal bipyramids that share  a cornercorner with one In(1)O6 octahedra, corners with two equivalent In(2)O6 octahedra, corners with two equivalent Ga(2)O5 trigonal bipyramids, corners with four equivalent Mg(1)O5 trigonal bipyramids,  an edgeedge with one Ga(1)O5 trigonal bipyramid, and edges with two equivalent Cu(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 59-62°. The Ga(2)-O(2) bond length is 1.88 Å. The Ga(2)-O(4) bond length is 2.09 Å. The Ga(2)-O(8) bond length is 1.95 Å. Both Ga(2)-O(1) bond lengths are 1.96 Å. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one Cu(1), and two equivalent Ga(2) atoms to form OMgGa2Cu trigonal pyramids that share  a cornercorner with one O(5)In3Cu tetrahedra,  a cornercorner with one O(7)MgIn3 tetrahedra, corners with two equivalent O(8)In3Ga tetrahedra, corners with two equivalent O(1)MgGa2Cu trigonal pyramids, corners with four equivalent O(2)Mg2Ga2 trigonal pyramids,  an edgeedge with one O(3)MgGa2Cu trigonal pyramid, and edges with two equivalent O(4)Ga2Cu2 trigonal pyramids. In the second O site, O(2) is bonded to two equivalent Mg(1), one Ga(1), and one Ga(2) atom to form OMg2Ga2 trigonal pyramids that share  a cornercorner with one O(6)In3Ga tetrahedra,  a cornercorner with one O(8)In3Ga tetrahedra, corners with two equivalent O(7)MgIn3 tetrahedra, corners with two equivalent O(2)Mg2Ga2 trigonal pyramids, corners with four equivalent O(1)MgGa2Cu trigonal pyramids,  an edgeedge with one O(4)Ga2Cu2 trigonal pyramid, and edges with two equivalent O(3)MgGa2Cu trigonal pyramids. In the third O site, O(3) is bonded to one Mg(1), one Cu(1), and two equivalent Ga(1) atoms to form OMgGa2Cu trigonal pyramids that share  a cornercorner with one O(5)In3Cu tetrahedra,  a cornercorner with one O(7)MgIn3 tetrahedra, corners with two equivalent O(6)In3Ga tetrahedra, corners with two equivalent O(3)MgGa2Cu trigonal pyramids, corners with four equivalent O(4)Ga2Cu2 trigonal pyramids,  an edgeedge with one O(1)MgGa2Cu trigonal pyramid, and edges with two equivalent O(2)Mg2Ga2 trigonal pyramids. In the fourth O site, O(4) is bonded to two equivalent Cu(1), one Ga(1), and one Ga(2) atom to form OGa2Cu2 trigonal pyramids that share  a cornercorner with one O(6)In3Ga tetrahedra,  a cornercorner with one O(8)In3Ga tetrahedra, corners with two equivalent O(5)In3Cu tetrahedra, corners with two equivalent O(4)Ga2Cu2 trigonal pyramids, corners with four equivalent O(3)MgGa2Cu trigonal pyramids,  an edgeedge with one O(2)Mg2Ga2 trigonal pyramid, and edges with two equivalent O(1)MgGa2Cu trigonal pyramids. In the fifth O site, O(5) is bonded to one Cu(1), one In(2), and two equivalent In(1) atoms to form OIn3Cu tetrahedra that share corners with two equivalent O(5)In3Cu tetrahedra, corners with three equivalent O(7)MgIn3 tetrahedra, corners with four equivalent O(6)In3Ga tetrahedra,  a cornercorner with one O(1)MgGa2Cu trigonal pyramid,  a cornercorner with one O(3)MgGa2Cu trigonal pyramid, corners with two equivalent O(4)Ga2Cu2 trigonal pyramids,  an edgeedge with one O(7)MgIn3 tetrahedra, and edges with two equivalent O(8)In3Ga tetrahedra. In the sixth O site, O(6) is bonded to one In(1), two equivalent In(2), and one Ga(1) atom to form distorted OIn3Ga tetrahedra that share corners with two equivalent O(6)In3Ga tetrahedra, corners with three equivalent O(8)In3Ga tetrahedra, corners with four equivalent O(5)In3Cu tetrahedra,  a cornercorner with one O(4)Ga2Cu2 trigonal pyramid,  a cornercorner with one O(2)Mg2Ga2 trigonal pyramid, corners with two equivalent O(3)MgGa2Cu trigonal pyramids,  an edgeedge with one O(8)In3Ga tetrahedra, and edges with two equivalent O(7)MgIn3 tetrahedra. In the seventh O site, O(7) is bonded to one Mg(1), one In(2), and two equivalent In(1) atoms to form OMgIn3 tetrahedra that share corners with two equivalent O(7)MgIn3 tetrahedra, corners with three equivalent O(5)In3Cu tetrahedra, corners with four equivalent O(8)In3Ga tetrahedra,  a cornercorner with one O(1)MgGa2Cu trigonal pyramid,  a cornercorner with one O(3)MgGa2Cu trigonal pyramid, corners with two equivalent O(2)Mg2Ga2 trigonal pyramids,  an edgeedge with one O(5)In3Cu tetrahedra, and edges with two equivalent O(6)In3Ga tetrahedra. In the eighth O site, O(8) is bonded to one In(1), two equivalent In(2), and one Ga(2) atom to form distorted OIn3Ga tetrahedra that share corners with two equivalent O(8)In3Ga tetrahedra, corners with three equivalent O(6)In3Ga tetrahedra, corners with four equivalent O(7)MgIn3 tetrahedra,  a cornercorner with one O(4)Ga2Cu2 trigonal pyramid,  a cornercorner with one O(2)Mg2Ga2 trigonal pyramid, corners with two equivalent O(1)MgGa2Cu trigonal pyramids,  an edgeedge with one O(6)In3Ga tetrahedra, and edges with two equivalent O(5)In3Cu tetrahedra.