MgSnO2 crystallizes in the triclinic P1 space group. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to one O(4), one O(6), and two equivalent O(7) atoms to form distorted MgO4 tetrahedra that share corners with two equivalent Mg(1)O4 tetrahedra,  a cornercorner with one Mg(4)O5 trigonal bipyramid, and corners with two equivalent Mg(3)O4 trigonal pyramids. In the second Mg site, Mg(2) is bonded to one O(1), one O(8), and two equivalent O(5) atoms to form MgO4 tetrahedra that share corners with two equivalent Mg(2)O4 tetrahedra, corners with two equivalent Mg(4)O5 trigonal bipyramids, and  a cornercorner with one Mg(3)O4 trigonal pyramid. In the third Mg site, Mg(3) is bonded to one O(7), one O(8), and two equivalent O(3) atoms to form MgO4 trigonal pyramids that share  a cornercorner with one Mg(2)O4 tetrahedra, corners with two equivalent Mg(1)O4 tetrahedra, corners with two equivalent Mg(4)O5 trigonal bipyramids, and corners with two equivalent Mg(3)O4 trigonal pyramids. In the fourth Mg site, Mg(4) is bonded to one O(3), one O(5), one O(6), and two equivalent O(2) atoms to form distorted MgO5 trigonal bipyramids that share  a cornercorner with one Mg(1)O4 tetrahedra, corners with two equivalent Mg(2)O4 tetrahedra, corners with two equivalent Mg(4)O5 trigonal bipyramids, and corners with two equivalent Mg(3)O4 trigonal pyramids. There are four inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a distorted trigonal non-coplanar geometry to one O(2) and two equivalent O(4) atoms. In the second Sn site, Sn(2) is bonded in a 3-coordinate geometry to one O(4) and two equivalent O(6) atoms. In the third Sn site, Sn(3) is bonded in a 4-coordinate geometry to one O(2), one O(3), and two equivalent O(8) atoms. In the fourth Sn site, Sn(4) is bonded in a water-like geometry to two equivalent O(1) atoms. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Mg(2) and two equivalent Sn(4) atoms. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Mg(4), one Sn(1), and one Sn(3) atom. In the third O site, O(3) is bonded to one Mg(4), two equivalent Mg(3), and one Sn(3) atom to form distorted OMg3Sn trigonal pyramids that share  a cornercorner with one O(6)Mg2Sn2 tetrahedra and corners with two equivalent O(3)Mg3Sn trigonal pyramids. In the fourth O site, O(4) is bonded in a see-saw-like geometry to one Mg(1), one Sn(2), and two equivalent Sn(1) atoms. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Mg(4) and two equivalent Mg(2) atoms. In the sixth O site, O(6) is bonded to one Mg(1), one Mg(4), and two equivalent Sn(2) atoms to form OMg2Sn2 tetrahedra that share corners with two equivalent O(6)Mg2Sn2 tetrahedra and  a cornercorner with one O(3)Mg3Sn trigonal pyramid. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Mg(3) and two equivalent Mg(1) atoms. In the eighth O site, O(8) is bonded in a distorted rectangular see-saw-like geometry to one Mg(2), one Mg(3), and two equivalent Sn(3) atoms.
MgSnO2 crystallizes in the triclinic P1 space group. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to one O(4), one O(6), and two equivalent O(7) atoms to form distorted MgO4 tetrahedra that share corners with two equivalent Mg(1)O4 tetrahedra,  a cornercorner with one Mg(4)O5 trigonal bipyramid, and corners with two equivalent Mg(3)O4 trigonal pyramids. The Mg(1)-O(4) bond length is 2.26 Å. The Mg(1)-O(6) bond length is 2.11 Å. Both Mg(1)-O(7) bond lengths are 1.96 Å. In the second Mg site, Mg(2) is bonded to one O(1), one O(8), and two equivalent O(5) atoms to form MgO4 tetrahedra that share corners with two equivalent Mg(2)O4 tetrahedra, corners with two equivalent Mg(4)O5 trigonal bipyramids, and  a cornercorner with one Mg(3)O4 trigonal pyramid. The Mg(2)-O(1) bond length is 2.05 Å. The Mg(2)-O(8) bond length is 1.97 Å. There is one shorter (1.94 Å) and one longer (1.95 Å) Mg(2)-O(5) bond length. In the third Mg site, Mg(3) is bonded to one O(7), one O(8), and two equivalent O(3) atoms to form MgO4 trigonal pyramids that share  a cornercorner with one Mg(2)O4 tetrahedra, corners with two equivalent Mg(1)O4 tetrahedra, corners with two equivalent Mg(4)O5 trigonal bipyramids, and corners with two equivalent Mg(3)O4 trigonal pyramids. The Mg(3)-O(7) bond length is 2.00 Å. The Mg(3)-O(8) bond length is 1.98 Å. Both Mg(3)-O(3) bond lengths are 2.04 Å. In the fourth Mg site, Mg(4) is bonded to one O(3), one O(5), one O(6), and two equivalent O(2) atoms to form distorted MgO5 trigonal bipyramids that share  a cornercorner with one Mg(1)O4 tetrahedra, corners with two equivalent Mg(2)O4 tetrahedra, corners with two equivalent Mg(4)O5 trigonal bipyramids, and corners with two equivalent Mg(3)O4 trigonal pyramids. The Mg(4)-O(3) bond length is 2.61 Å. The Mg(4)-O(5) bond length is 1.96 Å. The Mg(4)-O(6) bond length is 2.08 Å. There is one shorter (2.04 Å) and one longer (2.08 Å) Mg(4)-O(2) bond length. There are four inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a distorted trigonal non-coplanar geometry to one O(2) and two equivalent O(4) atoms. The Sn(1)-O(2) bond length is 2.08 Å. There is one shorter (2.19 Å) and one longer (2.38 Å) Sn(1)-O(4) bond length. In the second Sn site, Sn(2) is bonded in a 3-coordinate geometry to one O(4) and two equivalent O(6) atoms. The Sn(2)-O(4) bond length is 2.20 Å. There is one shorter (2.14 Å) and one longer (2.28 Å) Sn(2)-O(6) bond length. In the third Sn site, Sn(3) is bonded in a 4-coordinate geometry to one O(2), one O(3), and two equivalent O(8) atoms. The Sn(3)-O(2) bond length is 2.65 Å. The Sn(3)-O(3) bond length is 2.20 Å. There is one shorter (2.15 Å) and one longer (2.22 Å) Sn(3)-O(8) bond length. In the fourth Sn site, Sn(4) is bonded in a water-like geometry to two equivalent O(1) atoms. Both Sn(4)-O(1) bond lengths are 2.09 Å. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Mg(2) and two equivalent Sn(4) atoms. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Mg(4), one Sn(1), and one Sn(3) atom. In the third O site, O(3) is bonded to one Mg(4), two equivalent Mg(3), and one Sn(3) atom to form distorted OMg3Sn trigonal pyramids that share  a cornercorner with one O(6)Mg2Sn2 tetrahedra and corners with two equivalent O(3)Mg3Sn trigonal pyramids. In the fourth O site, O(4) is bonded in a see-saw-like geometry to one Mg(1), one Sn(2), and two equivalent Sn(1) atoms. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Mg(4) and two equivalent Mg(2) atoms. In the sixth O site, O(6) is bonded to one Mg(1), one Mg(4), and two equivalent Sn(2) atoms to form OMg2Sn2 tetrahedra that share corners with two equivalent O(6)Mg2Sn2 tetrahedra and  a cornercorner with one O(3)Mg3Sn trigonal pyramid. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Mg(3) and two equivalent Mg(1) atoms. In the eighth O site, O(8) is bonded in a distorted rectangular see-saw-like geometry to one Mg(2), one Mg(3), and two equivalent Sn(3) atoms.