MgSnO2 is Chalcostibite-like structured and crystallizes in the triclinic P-1 space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to one O(1), two equivalent O(3), and two equivalent O(4) atoms to form distorted MgO5 trigonal bipyramids that share corners with four equivalent Mg(2)O4 tetrahedra and edges with two equivalent Mg(1)O5 trigonal bipyramids. In the second Mg site, Mg(2) is bonded to one O(3), one O(4), and two equivalent O(2) atoms to form MgO4 tetrahedra that share corners with two equivalent Mg(2)O4 tetrahedra and corners with four equivalent Mg(1)O5 trigonal bipyramids. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a distorted T-shaped geometry to one O(3) and two equivalent O(1) atoms. In the second Sn site, Sn(2) is bonded in a 3-coordinate geometry to one O(4) and two equivalent O(2) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Mg(1) and two equivalent Sn(1) atoms. In the second O site, O(2) is bonded to two equivalent Mg(2) and two equivalent Sn(2) atoms to form distorted OMg2Sn2 trigonal pyramids that share corners with two equivalent O(3)Mg3Sn tetrahedra, corners with two equivalent O(2)Mg2Sn2 trigonal pyramids, and  an edgeedge with one O(2)Mg2Sn2 trigonal pyramid. In the third O site, O(3) is bonded to one Mg(2), two equivalent Mg(1), and one Sn(1) atom to form OMg3Sn tetrahedra that share corners with two equivalent O(3)Mg3Sn tetrahedra and corners with two equivalent O(2)Mg2Sn2 trigonal pyramids. In the fourth O site, O(4) is bonded in a distorted see-saw-like geometry to one Mg(2), two equivalent Mg(1), and one Sn(2) atom.
MgSnO2 is Chalcostibite-like structured and crystallizes in the triclinic P-1 space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to one O(1), two equivalent O(3), and two equivalent O(4) atoms to form distorted MgO5 trigonal bipyramids that share corners with four equivalent Mg(2)O4 tetrahedra and edges with two equivalent Mg(1)O5 trigonal bipyramids. The Mg(1)-O(1) bond length is 2.00 Å. There is one shorter (2.10 Å) and one longer (2.14 Å) Mg(1)-O(3) bond length. There is one shorter (2.15 Å) and one longer (2.28 Å) Mg(1)-O(4) bond length. In the second Mg site, Mg(2) is bonded to one O(3), one O(4), and two equivalent O(2) atoms to form MgO4 tetrahedra that share corners with two equivalent Mg(2)O4 tetrahedra and corners with four equivalent Mg(1)O5 trigonal bipyramids. The Mg(2)-O(3) bond length is 1.97 Å. The Mg(2)-O(4) bond length is 1.99 Å. There is one shorter (1.99 Å) and one longer (2.03 Å) Mg(2)-O(2) bond length. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a distorted T-shaped geometry to one O(3) and two equivalent O(1) atoms. The Sn(1)-O(3) bond length is 2.17 Å. There is one shorter (2.09 Å) and one longer (2.10 Å) Sn(1)-O(1) bond length. In the second Sn site, Sn(2) is bonded in a 3-coordinate geometry to one O(4) and two equivalent O(2) atoms. The Sn(2)-O(4) bond length is 2.19 Å. There is one shorter (2.21 Å) and one longer (2.28 Å) Sn(2)-O(2) bond length. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Mg(1) and two equivalent Sn(1) atoms. In the second O site, O(2) is bonded to two equivalent Mg(2) and two equivalent Sn(2) atoms to form distorted OMg2Sn2 trigonal pyramids that share corners with two equivalent O(3)Mg3Sn tetrahedra, corners with two equivalent O(2)Mg2Sn2 trigonal pyramids, and  an edgeedge with one O(2)Mg2Sn2 trigonal pyramid. In the third O site, O(3) is bonded to one Mg(2), two equivalent Mg(1), and one Sn(1) atom to form OMg3Sn tetrahedra that share corners with two equivalent O(3)Mg3Sn tetrahedra and corners with two equivalent O(2)Mg2Sn2 trigonal pyramids. In the fourth O site, O(4) is bonded in a distorted see-saw-like geometry to one Mg(2), two equivalent Mg(1), and one Sn(2) atom.