MgSb2O6 is zeta iron carbide-derived structured and crystallizes in the orthorhombic Pmn2_1 space group. Mg(1) is bonded in a 6-coordinate geometry to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms. Sb(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form corner-sharing SbO6 octahedra. The corner-sharing octahedral tilt angles range from 34-45°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Mg(1) and two equivalent Sb(1) atoms. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Mg(1) and two equivalent Sb(1) atoms. In the third O site, O(3) is bonded in a trigonal non-coplanar geometry to one Mg(1) and two equivalent Sb(1) atoms. In the fourth O site, O(4) is bonded in a T-shaped geometry to one Mg(1) and two equivalent Sb(1) atoms.
MgSb2O6 is zeta iron carbide-derived structured and crystallizes in the orthorhombic Pmn2_1 space group. Mg(1) is bonded in a 6-coordinate geometry to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms. The Mg(1)-O(3) bond length is 2.07 Å. The Mg(1)-O(4) bond length is 2.11 Å. Both Mg(1)-O(1) bond lengths are 2.10 Å. Both Mg(1)-O(2) bond lengths are 2.37 Å. Sb(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form corner-sharing SbO6 octahedra. The corner-sharing octahedral tilt angles range from 34-45°. The Sb(1)-O(3) bond length is 2.04 Å. The Sb(1)-O(4) bond length is 2.00 Å. There is one shorter (1.99 Å) and one longer (2.02 Å) Sb(1)-O(1) bond length. Both Sb(1)-O(2) bond lengths are 2.00 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Mg(1) and two equivalent Sb(1) atoms. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Mg(1) and two equivalent Sb(1) atoms. In the third O site, O(3) is bonded in a trigonal non-coplanar geometry to one Mg(1) and two equivalent Sb(1) atoms. In the fourth O site, O(4) is bonded in a T-shaped geometry to one Mg(1) and two equivalent Sb(1) atoms.