MgSb2O4 is Spinel structured and crystallizes in the triclinic P1 space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a tetrahedral geometry to one O(4), one O(5), one O(6), and one O(8) atom. In the second Mg site, Mg(2) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(7) atom. There are four inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a distorted trigonal non-coplanar geometry to one O(2), one O(3), and one O(8) atom. In the second Sb site, Sb(2) is bonded in a 4-coordinate geometry to one O(3), one O(5), one O(6), and one O(7) atom. In the third Sb site, Sb(3) is bonded in a distorted trigonal non-coplanar geometry to one O(1), one O(5), and one O(7) atom. In the fourth Sb site, Sb(4) is bonded in a distorted trigonal non-coplanar geometry to one O(1), one O(2), and one O(4) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Mg(2), one Sb(3), and one Sb(4) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Mg(2), one Sb(1), and one Sb(4) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Mg(2), one Sb(1), and one Sb(2) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Mg(1) and one Sb(4) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to one Mg(1), one Sb(2), and one Sb(3) atom. In the sixth O site, O(6) is bonded in a distorted bent 120 degrees geometry to one Mg(1) and one Sb(2) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Mg(2), one Sb(2), and one Sb(3) atom. In the eighth O site, O(8) is bonded in a distorted bent 120 degrees geometry to one Mg(1) and one Sb(1) atom.
MgSb2O4 is Spinel structured and crystallizes in the triclinic P1 space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a tetrahedral geometry to one O(4), one O(5), one O(6), and one O(8) atom. The Mg(1)-O(4) bond length is 1.95 Å. The Mg(1)-O(5) bond length is 1.98 Å. The Mg(1)-O(6) bond length is 1.97 Å. The Mg(1)-O(8) bond length is 1.96 Å. In the second Mg site, Mg(2) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(7) atom. The Mg(2)-O(1) bond length is 2.14 Å. The Mg(2)-O(2) bond length is 2.09 Å. The Mg(2)-O(3) bond length is 2.07 Å. The Mg(2)-O(7) bond length is 2.14 Å. There are four inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a distorted trigonal non-coplanar geometry to one O(2), one O(3), and one O(8) atom. The Sb(1)-O(2) bond length is 2.16 Å. The Sb(1)-O(3) bond length is 2.12 Å. The Sb(1)-O(8) bond length is 1.93 Å. In the second Sb site, Sb(2) is bonded in a 4-coordinate geometry to one O(3), one O(5), one O(6), and one O(7) atom. The Sb(2)-O(3) bond length is 2.20 Å. The Sb(2)-O(5) bond length is 2.72 Å. The Sb(2)-O(6) bond length is 1.92 Å. The Sb(2)-O(7) bond length is 2.18 Å. In the third Sb site, Sb(3) is bonded in a distorted trigonal non-coplanar geometry to one O(1), one O(5), and one O(7) atom. The Sb(3)-O(1) bond length is 2.15 Å. The Sb(3)-O(5) bond length is 1.94 Å. The Sb(3)-O(7) bond length is 2.13 Å. In the fourth Sb site, Sb(4) is bonded in a distorted trigonal non-coplanar geometry to one O(1), one O(2), and one O(4) atom. The Sb(4)-O(1) bond length is 2.13 Å. The Sb(4)-O(2) bond length is 2.12 Å. The Sb(4)-O(4) bond length is 1.92 Å. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Mg(2), one Sb(3), and one Sb(4) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Mg(2), one Sb(1), and one Sb(4) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Mg(2), one Sb(1), and one Sb(2) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Mg(1) and one Sb(4) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to one Mg(1), one Sb(2), and one Sb(3) atom. In the sixth O site, O(6) is bonded in a distorted bent 120 degrees geometry to one Mg(1) and one Sb(2) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Mg(2), one Sb(2), and one Sb(3) atom. In the eighth O site, O(8) is bonded in a distorted bent 120 degrees geometry to one Mg(1) and one Sb(1) atom.