MgSb2O4 is Spinel-like structured and crystallizes in the orthorhombic Imma space group. Mg(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form MgO6 octahedra that share corners with six equivalent Sb(1)O4 tetrahedra, edges with two equivalent Mg(1)O6 octahedra, and edges with four equivalent Sb(2)O6 octahedra. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form SbO4 tetrahedra that share corners with six equivalent Mg(1)O6 octahedra and corners with six equivalent Sb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-72°. In the second Sb site, Sb(2) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form SbO6 octahedra that share corners with six equivalent Sb(1)O4 tetrahedra, edges with two equivalent Sb(2)O6 octahedra, and edges with four equivalent Mg(1)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Mg(1), one Sb(1), and one Sb(2) atom to form a mixture of distorted corner and edge-sharing OMg2Sb2 tetrahedra. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Sb(1), and two equivalent Sb(2) atoms.
MgSb2O4 is Spinel-like structured and crystallizes in the orthorhombic Imma space group. Mg(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form MgO6 octahedra that share corners with six equivalent Sb(1)O4 tetrahedra, edges with two equivalent Mg(1)O6 octahedra, and edges with four equivalent Sb(2)O6 octahedra. Both Mg(1)-O(2) bond lengths are 2.26 Å. All Mg(1)-O(1) bond lengths are 2.13 Å. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form SbO4 tetrahedra that share corners with six equivalent Mg(1)O6 octahedra and corners with six equivalent Sb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-72°. Both Sb(1)-O(1) bond lengths are 2.33 Å. Both Sb(1)-O(2) bond lengths are 2.07 Å. In the second Sb site, Sb(2) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form SbO6 octahedra that share corners with six equivalent Sb(1)O4 tetrahedra, edges with two equivalent Sb(2)O6 octahedra, and edges with four equivalent Mg(1)O6 octahedra. Both Sb(2)-O(1) bond lengths are 2.25 Å. All Sb(2)-O(2) bond lengths are 2.38 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Mg(1), one Sb(1), and one Sb(2) atom to form a mixture of distorted corner and edge-sharing OMg2Sb2 tetrahedra. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Sb(1), and two equivalent Sb(2) atoms.