MgV4Zn2O12 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 5-coordinate geometry to one O(1), one O(11), one O(3), one O(6), and one O(8) atom. There are four inequivalent V sites. In the first V site, V(1) is bonded in a 6-coordinate geometry to one O(10), one O(11), one O(3), one O(4), one O(7), and one O(8) atom. In the second V site, V(2) is bonded in a 5-coordinate geometry to one O(12), one O(3), one O(4), one O(7), and one O(8) atom. In the third V site, V(3) is bonded to one O(1), one O(12), one O(2), one O(5), one O(6), and one O(9) atom to form distorted corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 26-46°. In the fourth V site, V(4) is bonded to one O(1), one O(10), one O(11), one O(2), one O(5), and one O(6) atom to form distorted corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 26-46°. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 5-coordinate geometry to one O(1), one O(3), one O(6), one O(8), and one O(9) atom. In the second Zn site, Zn(2) is bonded in a 5-coordinate geometry to one O(10), one O(2), one O(4), one O(5), and one O(7) atom. There are twelve 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 V(3), one V(4), and one Zn(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one V(3), one V(4), and one Zn(2) atom. In the third O site, O(3) is bonded to one Mg(1), one V(1), one V(2), and one Zn(1) atom to form distorted edge-sharing OMgV2Zn tetrahedra. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one V(1), one V(2), and one Zn(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one V(3), one V(4), and one Zn(2) atom. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one V(3), one V(4), and one Zn(1) atom. In the seventh O site, O(7) is bonded in a distorted T-shaped geometry to one V(1), one V(2), and one Zn(2) atom. In the eighth O site, O(8) is bonded to one Mg(1), one V(1), one V(2), and one Zn(1) atom to form distorted edge-sharing OMgV2Zn tetrahedra. In the ninth O site, O(9) is bonded in a distorted bent 120 degrees geometry to one V(3) and one Zn(1) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one V(1), one V(4), and one Zn(2) atom. In the eleventh O site, O(11) is bonded in a distorted bent 120 degrees geometry to one Mg(1), one V(1), and one V(4) atom. In the twelfth O site, O(12) is bonded in a distorted single-bond geometry to one V(2) and one V(3) atom.
MgV4Zn2O12 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 5-coordinate geometry to one O(1), one O(11), one O(3), one O(6), and one O(8) atom. The Mg(1)-O(1) bond length is 2.16 Å. The Mg(1)-O(11) bond length is 2.03 Å. The Mg(1)-O(3) bond length is 2.11 Å. The Mg(1)-O(6) bond length is 2.16 Å. The Mg(1)-O(8) bond length is 2.11 Å. There are four inequivalent V sites. In the first V site, V(1) is bonded in a 6-coordinate geometry to one O(10), one O(11), one O(3), one O(4), one O(7), and one O(8) atom. The V(1)-O(10) bond length is 1.76 Å. The V(1)-O(11) bond length is 2.52 Å. The V(1)-O(3) bond length is 1.98 Å. The V(1)-O(4) bond length is 1.96 Å. The V(1)-O(7) bond length is 1.96 Å. The V(1)-O(8) bond length is 1.98 Å. In the second V site, V(2) is bonded in a 5-coordinate geometry to one O(12), one O(3), one O(4), one O(7), and one O(8) atom. The V(2)-O(12) bond length is 1.66 Å. The V(2)-O(3) bond length is 2.01 Å. The V(2)-O(4) bond length is 1.82 Å. The V(2)-O(7) bond length is 1.82 Å. The V(2)-O(8) bond length is 2.01 Å. In the third V site, V(3) is bonded to one O(1), one O(12), one O(2), one O(5), one O(6), and one O(9) atom to form distorted corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 26-46°. The V(3)-O(1) bond length is 1.99 Å. The V(3)-O(12) bond length is 2.26 Å. The V(3)-O(2) bond length is 1.82 Å. The V(3)-O(5) bond length is 1.82 Å. The V(3)-O(6) bond length is 1.98 Å. The V(3)-O(9) bond length is 1.74 Å. In the fourth V site, V(4) is bonded to one O(1), one O(10), one O(11), one O(2), one O(5), and one O(6) atom to form distorted corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 26-46°. The V(4)-O(1) bond length is 1.96 Å. The V(4)-O(10) bond length is 2.32 Å. The V(4)-O(11) bond length is 1.76 Å. The V(4)-O(2) bond length is 1.99 Å. The V(4)-O(5) bond length is 1.99 Å. The V(4)-O(6) bond length is 1.96 Å. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 5-coordinate geometry to one O(1), one O(3), one O(6), one O(8), and one O(9) atom. The Zn(1)-O(1) bond length is 2.14 Å. The Zn(1)-O(3) bond length is 2.07 Å. The Zn(1)-O(6) bond length is 2.14 Å. The Zn(1)-O(8) bond length is 2.07 Å. The Zn(1)-O(9) bond length is 1.98 Å. In the second Zn site, Zn(2) is bonded in a 5-coordinate geometry to one O(10), one O(2), one O(4), one O(5), and one O(7) atom. The Zn(2)-O(10) bond length is 1.99 Å. The Zn(2)-O(2) bond length is 2.05 Å. The Zn(2)-O(4) bond length is 2.16 Å. The Zn(2)-O(5) bond length is 2.05 Å. The Zn(2)-O(7) bond length is 2.17 Å. There are twelve 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 V(3), one V(4), and one Zn(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one V(3), one V(4), and one Zn(2) atom. In the third O site, O(3) is bonded to one Mg(1), one V(1), one V(2), and one Zn(1) atom to form distorted edge-sharing OMgV2Zn tetrahedra. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one V(1), one V(2), and one Zn(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one V(3), one V(4), and one Zn(2) atom. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one V(3), one V(4), and one Zn(1) atom. In the seventh O site, O(7) is bonded in a distorted T-shaped geometry to one V(1), one V(2), and one Zn(2) atom. In the eighth O site, O(8) is bonded to one Mg(1), one V(1), one V(2), and one Zn(1) atom to form distorted edge-sharing OMgV2Zn tetrahedra. In the ninth O site, O(9) is bonded in a distorted bent 120 degrees geometry to one V(3) and one Zn(1) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one V(1), one V(4), and one Zn(2) atom. In the eleventh O site, O(11) is bonded in a distorted bent 120 degrees geometry to one Mg(1), one V(1), and one V(4) atom. In the twelfth O site, O(12) is bonded in a distorted single-bond geometry to one V(2) and one V(3) atom.