MgSb2O4 crystallizes in the triclinic P1 space group. There are six inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to one O(1), one O(16), one O(3), and one O(4) atom to form distorted MgO4 trigonal pyramids that share  a cornercorner with one Sb(2)O5 square pyramid,  a cornercorner with one Sb(8)O5 square pyramid, and corners with two equivalent Mg(5)O5 square pyramids. In the second Mg site, Mg(2) is bonded to one O(10), one O(11), one O(2), and one O(5) atom to form MgO4 tetrahedra that share  a cornercorner with one Sb(2)O5 square pyramid. In the third Mg site, Mg(3) is bonded in a 6-coordinate geometry to one O(10), one O(11), one O(12), one O(5), one O(6), and one O(8) atom. In the fourth Mg site, Mg(4) is bonded in a 5-coordinate geometry to one O(13), one O(18), one O(19), one O(23), and one O(7) atom. In the fifth Mg site, Mg(5) is bonded to one O(21), one O(22), one O(24), one O(3), and one O(4) atom to form MgO5 square pyramids that share corners with two equivalent Mg(1)O4 trigonal pyramids and  an edgeedge with one Sb(8)O5 square pyramid. In the sixth Mg site, Mg(6) is bonded in a trigonal bipyramidal geometry to one O(13), one O(14), one O(15), one O(20), and one O(23) atom. There are twelve inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a distorted T-shaped geometry to one O(3), one O(4), and one O(9) atom. In the second Sb site, Sb(2) is bonded to one O(1), one O(12), one O(2), one O(6), and one O(9) atom to form distorted SbO5 square pyramids that share  a cornercorner with one Mg(2)O4 tetrahedra and  a cornercorner with one Mg(1)O4 trigonal pyramid. In the third Sb site, Sb(3) is bonded in a trigonal non-coplanar geometry to one O(10), one O(11), and one O(17) atom. In the fourth Sb site, Sb(4) is bonded in a 5-coordinate geometry to one O(1), one O(12), one O(2), one O(8), and one O(9) atom. In the fifth Sb site, Sb(5) is bonded in a distorted trigonal non-coplanar geometry to one O(14), one O(5), and one O(7) atom. In the sixth Sb site, Sb(6) is bonded in a trigonal non-coplanar geometry to one O(13), one O(14), and one O(15) atom. In the seventh Sb site, Sb(7) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(17), one O(6), and one O(8) atom. In the eighth Sb site, Sb(8) is bonded to one O(16), one O(18), one O(19), one O(21), and one O(22) atom to form SbO5 square pyramids that share  a cornercorner with one Mg(1)O4 trigonal pyramid and  an edgeedge with one Mg(5)O5 square pyramid. In the ninth Sb site, Sb(9) is bonded in a 3-coordinate geometry to one O(15), one O(20), and one O(7) atom. In the tenth Sb site, Sb(10) is bonded in a distorted rectangular see-saw-like geometry to one O(16), one O(19), one O(23), and one O(24) atom. In the eleventh Sb site, Sb(11) is bonded in a 3-coordinate geometry to one O(16), one O(18), one O(23), and one O(24) atom. In the twelfth Sb site, Sb(12) is bonded in a trigonal non-coplanar geometry to one O(21), one O(22), and one O(9) atom. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Sb(2), one Sb(4), and one Sb(7) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Mg(2), one Sb(2), and one Sb(4) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Mg(1), one Mg(5), and one Sb(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Mg(1), one Mg(5), and one Sb(1) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Mg(2), one Mg(3), and one Sb(5) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Mg(3), one Sb(2), and one Sb(7) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Mg(4), one Sb(5), and one Sb(9) atom. In the eighth O site, O(8) is bonded in a distorted trigonal non-coplanar geometry to one Mg(3), one Sb(4), and one Sb(7) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Sb(1), one Sb(12), one Sb(2), and one Sb(4) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Mg(2), one Mg(3), and one Sb(3) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Mg(2), one Mg(3), and one Sb(3) atom. In the twelfth O site, O(12) is bonded in a trigonal non-coplanar geometry to one Mg(3), one Sb(2), and one Sb(4) atom. In the thirteenth O site, O(13) is bonded in a distorted trigonal planar geometry to one Mg(4), one Mg(6), and one Sb(6) atom. In the fourteenth O site, O(14) is bonded in a trigonal non-coplanar geometry to one Mg(6), one Sb(5), and one Sb(6) atom. In the fifteenth O site, O(15) is bonded in a distorted trigonal planar geometry to one Mg(6), one Sb(6), and one Sb(9) atom. In the sixteenth O site, O(16) is bonded in a 4-coordinate geometry to one Mg(1), one Sb(10), one Sb(11), and one Sb(8) atom. In the seventeenth O site, O(17) is bonded in a bent 150 degrees geometry to one Sb(3) and one Sb(7) atom. In the eighteenth O site, O(18) is bonded in a trigonal planar geometry to one Mg(4), one Sb(11), and one Sb(8) atom. In the nineteenth O site, O(19) is bonded in a distorted trigonal non-coplanar geometry to one Mg(4), one Sb(10), and one Sb(8) atom. In the twentieth O site, O(20) is bonded in a bent 150 degrees geometry to one Mg(6) and one Sb(9) atom. In the twenty-first O site, O(21) is bonded in a distorted T-shaped geometry to one Mg(5), one Sb(12), and one Sb(8) atom. In the twenty-second O site, O(22) is bonded in a distorted T-shaped geometry to one Mg(5), one Sb(12), and one Sb(8) atom. In the twenty-third O site, O(23) is bonded in a rectangular see-saw-like geometry to one Mg(4), one Mg(6), one Sb(10), and one Sb(11) atom. In the twenty-fourth O site, O(24) is bonded in a trigonal non-coplanar geometry to one Mg(5), one Sb(10), and one Sb(11) atom.
MgSb2O4 crystallizes in the triclinic P1 space group. There are six inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to one O(1), one O(16), one O(3), and one O(4) atom to form distorted MgO4 trigonal pyramids that share  a cornercorner with one Sb(2)O5 square pyramid,  a cornercorner with one Sb(8)O5 square pyramid, and corners with two equivalent Mg(5)O5 square pyramids. The Mg(1)-O(1) bond length is 2.10 Å. The Mg(1)-O(16) bond length is 2.12 Å. The Mg(1)-O(3) bond length is 2.02 Å. The Mg(1)-O(4) bond length is 2.02 Å. In the second Mg site, Mg(2) is bonded to one O(10), one O(11), one O(2), and one O(5) atom to form MgO4 tetrahedra that share  a cornercorner with one Sb(2)O5 square pyramid. The Mg(2)-O(10) bond length is 2.03 Å. The Mg(2)-O(11) bond length is 2.01 Å. The Mg(2)-O(2) bond length is 1.99 Å. The Mg(2)-O(5) bond length is 2.26 Å. In the third Mg site, Mg(3) is bonded in a 6-coordinate geometry to one O(10), one O(11), one O(12), one O(5), one O(6), and one O(8) atom. The Mg(3)-O(10) bond length is 2.24 Å. The Mg(3)-O(11) bond length is 2.55 Å. The Mg(3)-O(12) bond length is 2.06 Å. The Mg(3)-O(5) bond length is 2.17 Å. The Mg(3)-O(6) bond length is 2.09 Å. The Mg(3)-O(8) bond length is 2.17 Å. In the fourth Mg site, Mg(4) is bonded in a 5-coordinate geometry to one O(13), one O(18), one O(19), one O(23), and one O(7) atom. The Mg(4)-O(13) bond length is 2.02 Å. The Mg(4)-O(18) bond length is 2.10 Å. The Mg(4)-O(19) bond length is 2.10 Å. The Mg(4)-O(23) bond length is 2.45 Å. The Mg(4)-O(7) bond length is 2.21 Å. In the fifth Mg site, Mg(5) is bonded to one O(21), one O(22), one O(24), one O(3), and one O(4) atom to form MgO5 square pyramids that share corners with two equivalent Mg(1)O4 trigonal pyramids and  an edgeedge with one Sb(8)O5 square pyramid. The Mg(5)-O(21) bond length is 2.12 Å. The Mg(5)-O(22) bond length is 2.06 Å. The Mg(5)-O(24) bond length is 2.01 Å. The Mg(5)-O(3) bond length is 2.07 Å. The Mg(5)-O(4) bond length is 2.12 Å. In the sixth Mg site, Mg(6) is bonded in a trigonal bipyramidal geometry to one O(13), one O(14), one O(15), one O(20), and one O(23) atom. The Mg(6)-O(13) bond length is 2.22 Å. The Mg(6)-O(14) bond length is 2.20 Å. The Mg(6)-O(15) bond length is 2.19 Å. The Mg(6)-O(20) bond length is 2.00 Å. The Mg(6)-O(23) bond length is 2.12 Å. There are twelve inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a distorted T-shaped geometry to one O(3), one O(4), and one O(9) atom. The Sb(1)-O(3) bond length is 1.99 Å. The Sb(1)-O(4) bond length is 1.98 Å. The Sb(1)-O(9) bond length is 2.06 Å. In the second Sb site, Sb(2) is bonded to one O(1), one O(12), one O(2), one O(6), and one O(9) atom to form distorted SbO5 square pyramids that share  a cornercorner with one Mg(2)O4 tetrahedra and  a cornercorner with one Mg(1)O4 trigonal pyramid. The Sb(2)-O(1) bond length is 2.32 Å. The Sb(2)-O(12) bond length is 2.08 Å. The Sb(2)-O(2) bond length is 2.10 Å. The Sb(2)-O(6) bond length is 2.07 Å. The Sb(2)-O(9) bond length is 2.59 Å. In the third Sb site, Sb(3) is bonded in a trigonal non-coplanar geometry to one O(10), one O(11), and one O(17) atom. The Sb(3)-O(10) bond length is 2.01 Å. The Sb(3)-O(11) bond length is 1.96 Å. The Sb(3)-O(17) bond length is 1.98 Å. In the fourth Sb site, Sb(4) is bonded in a 5-coordinate geometry to one O(1), one O(12), one O(2), one O(8), and one O(9) atom. The Sb(4)-O(1) bond length is 2.35 Å. The Sb(4)-O(12) bond length is 2.07 Å. The Sb(4)-O(2) bond length is 2.10 Å. The Sb(4)-O(8) bond length is 2.05 Å. The Sb(4)-O(9) bond length is 2.69 Å. In the fifth Sb site, Sb(5) is bonded in a distorted trigonal non-coplanar geometry to one O(14), one O(5), and one O(7) atom. The Sb(5)-O(14) bond length is 2.08 Å. The Sb(5)-O(5) bond length is 1.97 Å. The Sb(5)-O(7) bond length is 2.05 Å. In the sixth Sb site, Sb(6) is bonded in a trigonal non-coplanar geometry to one O(13), one O(14), and one O(15) atom. The Sb(6)-O(13) bond length is 1.95 Å. The Sb(6)-O(14) bond length is 2.08 Å. The Sb(6)-O(15) bond length is 1.98 Å. In the seventh Sb site, Sb(7) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(17), one O(6), and one O(8) atom. The Sb(7)-O(1) bond length is 2.34 Å. The Sb(7)-O(17) bond length is 2.03 Å. The Sb(7)-O(6) bond length is 2.04 Å. The Sb(7)-O(8) bond length is 2.04 Å. In the eighth Sb site, Sb(8) is bonded to one O(16), one O(18), one O(19), one O(21), and one O(22) atom to form SbO5 square pyramids that share  a cornercorner with one Mg(1)O4 trigonal pyramid and  an edgeedge with one Mg(5)O5 square pyramid. The Sb(8)-O(16) bond length is 2.01 Å. The Sb(8)-O(18) bond length is 2.18 Å. The Sb(8)-O(19) bond length is 2.32 Å. The Sb(8)-O(21) bond length is 2.28 Å. The Sb(8)-O(22) bond length is 2.43 Å. In the ninth Sb site, Sb(9) is bonded in a 3-coordinate geometry to one O(15), one O(20), and one O(7) atom. The Sb(9)-O(15) bond length is 2.16 Å. The Sb(9)-O(20) bond length is 1.93 Å. The Sb(9)-O(7) bond length is 2.05 Å. In the tenth Sb site, Sb(10) is bonded in a distorted rectangular see-saw-like geometry to one O(16), one O(19), one O(23), and one O(24) atom. The Sb(10)-O(16) bond length is 2.50 Å. The Sb(10)-O(19) bond length is 1.97 Å. The Sb(10)-O(23) bond length is 2.15 Å. The Sb(10)-O(24) bond length is 2.00 Å. In the eleventh Sb site, Sb(11) is bonded in a 3-coordinate geometry to one O(16), one O(18), one O(23), and one O(24) atom. The Sb(11)-O(16) bond length is 2.68 Å. The Sb(11)-O(18) bond length is 2.00 Å. The Sb(11)-O(23) bond length is 2.12 Å. The Sb(11)-O(24) bond length is 2.02 Å. In the twelfth Sb site, Sb(12) is bonded in a trigonal non-coplanar geometry to one O(21), one O(22), and one O(9) atom. The Sb(12)-O(21) bond length is 2.06 Å. The Sb(12)-O(22) bond length is 2.02 Å. The Sb(12)-O(9) bond length is 2.10 Å. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Sb(2), one Sb(4), and one Sb(7) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Mg(2), one Sb(2), and one Sb(4) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Mg(1), one Mg(5), and one Sb(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Mg(1), one Mg(5), and one Sb(1) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Mg(2), one Mg(3), and one Sb(5) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Mg(3), one Sb(2), and one Sb(7) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Mg(4), one Sb(5), and one Sb(9) atom. In the eighth O site, O(8) is bonded in a distorted trigonal non-coplanar geometry to one Mg(3), one Sb(4), and one Sb(7) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Sb(1), one Sb(12), one Sb(2), and one Sb(4) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Mg(2), one Mg(3), and one Sb(3) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Mg(2), one Mg(3), and one Sb(3) atom. In the twelfth O site, O(12) is bonded in a trigonal non-coplanar geometry to one Mg(3), one Sb(2), and one Sb(4) atom. In the thirteenth O site, O(13) is bonded in a distorted trigonal planar geometry to one Mg(4), one Mg(6), and one Sb(6) atom. In the fourteenth O site, O(14) is bonded in a trigonal non-coplanar geometry to one Mg(6), one Sb(5), and one Sb(6) atom. In the fifteenth O site, O(15) is bonded in a distorted trigonal planar geometry to one Mg(6), one Sb(6), and one Sb(9) atom. In the sixteenth O site, O(16) is bonded in a 4-coordinate geometry to one Mg(1), one Sb(10), one Sb(11), and one Sb(8) atom. In the seventeenth O site, O(17) is bonded in a bent 150 degrees geometry to one Sb(3) and one Sb(7) atom. In the eighteenth O site, O(18) is bonded in a trigonal planar geometry to one Mg(4), one Sb(11), and one Sb(8) atom. In the nineteenth O site, O(19) is bonded in a distorted trigonal non-coplanar geometry to one Mg(4), one Sb(10), and one Sb(8) atom. In the twentieth O site, O(20) is bonded in a bent 150 degrees geometry to one Mg(6) and one Sb(9) atom. In the twenty-first O site, O(21) is bonded in a distorted T-shaped geometry to one Mg(5), one Sb(12), and one Sb(8) atom. In the twenty-second O site, O(22) is bonded in a distorted T-shaped geometry to one Mg(5), one Sb(12), and one Sb(8) atom. In the twenty-third O site, O(23) is bonded in a rectangular see-saw-like geometry to one Mg(4), one Mg(6), one Sb(10), and one Sb(11) atom. In the twenty-fourth O site, O(24) is bonded in a trigonal non-coplanar geometry to one Mg(5), one Sb(10), and one Sb(11) atom.