MgV4Tl4(TeO5)4 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a distorted rectangular see-saw-like geometry to one Tl(1), one O(13), one O(17), one O(18), and one O(3) atom. There are four inequivalent V sites. In the first V site, V(1) is bonded to one O(12), one O(14), one O(19), one O(3), one O(5), and one O(6) atom to form distorted corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 34-50°. In the second V site, V(2) is bonded in a 6-coordinate geometry to one O(1), one O(11), one O(2), one O(20), one O(8), and one O(9) atom. In the third V site, V(3) is bonded to one O(13), one O(18), one O(3), one O(4), one O(6), and one O(7) atom to form distorted corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 34-50°. In the fourth V site, V(4) is bonded in a 5-coordinate geometry to one O(1), one O(10), one O(15), one O(16), and one O(9) atom. There are four inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a 4-coordinate geometry to one Mg(1), one O(1), one O(11), and one O(2) atom. In the second Tl site, Tl(2) is bonded in a 5-coordinate geometry to one O(15), one O(17), one O(2), one O(6), and one O(9) atom. In the third Tl site, Tl(3) is bonded in a distorted single-bond geometry to one O(19) atom. In the fourth Tl site, Tl(4) is bonded in a 4-coordinate geometry to one O(1), one O(12), one O(13), and one O(3) atom. There are four inequivalent Te sites. In the first Te site, Te(1) is bonded in a 5-coordinate geometry to one O(15), one O(2), one O(20), one O(5), and one O(7) atom. In the second Te site, Te(2) is bonded in a 4-coordinate geometry to one O(19), one O(20), one O(4), and one O(7) atom. In the third Te site, Te(3) is bonded in a 5-coordinate geometry to one O(10), one O(12), one O(13), one O(14), and one O(8) atom. In the fourth Te site, Te(4) is bonded in a rectangular see-saw-like geometry to one O(11), one O(14), one O(17), and one O(18) atom. There are twenty inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one V(2), one V(4), one Tl(1), and one Tl(4) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one V(2), one Tl(1), one Tl(2), and one Te(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Mg(1), one V(1), one V(3), and one Tl(4) atom. In the fourth O site, O(4) is bonded in a water-like geometry to one V(3) and one Te(2) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one V(1) and one Te(1) atom. In the sixth O site, O(6) is bonded in a distorted bent 150 degrees geometry to one V(1), one V(3), and one Tl(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one V(3), one Te(1), and one Te(2) atom. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to one V(2) and one Te(3) atom. In the ninth O site, O(9) is bonded in a distorted bent 150 degrees geometry to one V(2), one V(4), and one Tl(2) atom. In the tenth O site, O(10) is bonded in a bent 120 degrees geometry to one V(4) and one Te(3) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one V(2), one Tl(1), and one Te(4) atom. In the twelfth O site, O(12) is bonded in a 2-coordinate geometry to one V(1), one Tl(4), and one Te(3) atom. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one Mg(1), one V(3), one Tl(4), and one Te(3) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one V(1), one Te(3), and one Te(4) atom. In the fifteenth O site, O(15) is bonded in a 2-coordinate geometry to one V(4), one Tl(2), and one Te(1) atom. In the sixteenth O site, O(16) is bonded in a single-bond geometry to one V(4) atom. In the seventeenth O site, O(17) is bonded in a water-like geometry to one Mg(1), one Tl(2), and one Te(4) atom. In the eighteenth O site, O(18) is bonded in a distorted T-shaped geometry to one Mg(1), one V(3), and one Te(4) atom. In the nineteenth O site, O(19) is bonded in a distorted trigonal planar geometry to one V(1), one Tl(3), and one Te(2) atom. In the twentieth O site, O(20) is bonded in a distorted bent 120 degrees geometry to one V(2), one Te(1), and one Te(2) atom.
MgV4Tl4(TeO5)4 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a distorted rectangular see-saw-like geometry to one Tl(1), one O(13), one O(17), one O(18), and one O(3) atom. The Mg(1)-Tl(1) bond length is 2.73 Å. The Mg(1)-O(13) bond length is 2.01 Å. The Mg(1)-O(17) bond length is 2.02 Å. The Mg(1)-O(18) bond length is 2.05 Å. The Mg(1)-O(3) bond length is 1.98 Å. There are four inequivalent V sites. In the first V site, V(1) is bonded to one O(12), one O(14), one O(19), one O(3), one O(5), and one O(6) atom to form distorted corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 34-50°. The V(1)-O(12) bond length is 2.21 Å. The V(1)-O(14) bond length is 2.13 Å. The V(1)-O(19) bond length is 2.03 Å. The V(1)-O(3) bond length is 1.92 Å. The V(1)-O(5) bond length is 1.72 Å. The V(1)-O(6) bond length is 2.10 Å. In the second V site, V(2) is bonded in a 6-coordinate geometry to one O(1), one O(11), one O(2), one O(20), one O(8), and one O(9) atom. The V(2)-O(1) bond length is 2.35 Å. The V(2)-O(11) bond length is 1.83 Å. The V(2)-O(2) bond length is 2.21 Å. The V(2)-O(20) bond length is 2.02 Å. The V(2)-O(8) bond length is 1.70 Å. The V(2)-O(9) bond length is 1.74 Å. In the third V site, V(3) is bonded to one O(13), one O(18), one O(3), one O(4), one O(6), and one O(7) atom to form distorted corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 34-50°. The V(3)-O(13) bond length is 2.12 Å. The V(3)-O(18) bond length is 2.03 Å. The V(3)-O(3) bond length is 2.13 Å. The V(3)-O(4) bond length is 2.02 Å. The V(3)-O(6) bond length is 1.73 Å. The V(3)-O(7) bond length is 1.99 Å. In the fourth V site, V(4) is bonded in a 5-coordinate geometry to one O(1), one O(10), one O(15), one O(16), and one O(9) atom. The V(4)-O(1) bond length is 1.73 Å. The V(4)-O(10) bond length is 1.94 Å. The V(4)-O(15) bond length is 1.94 Å. The V(4)-O(16) bond length is 1.67 Å. The V(4)-O(9) bond length is 2.07 Å. There are four inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a 4-coordinate geometry to one Mg(1), one O(1), one O(11), and one O(2) atom. The Tl(1)-O(1) bond length is 2.64 Å. The Tl(1)-O(11) bond length is 2.37 Å. The Tl(1)-O(2) bond length is 2.33 Å. In the second Tl site, Tl(2) is bonded in a 5-coordinate geometry to one O(15), one O(17), one O(2), one O(6), and one O(9) atom. The Tl(2)-O(15) bond length is 2.84 Å. The Tl(2)-O(17) bond length is 2.86 Å. The Tl(2)-O(2) bond length is 2.87 Å. The Tl(2)-O(6) bond length is 2.85 Å. The Tl(2)-O(9) bond length is 2.84 Å. In the third Tl site, Tl(3) is bonded in a distorted single-bond geometry to one O(19) atom. The Tl(3)-O(19) bond length is 2.67 Å. In the fourth Tl site, Tl(4) is bonded in a 4-coordinate geometry to one O(1), one O(12), one O(13), and one O(3) atom. The Tl(4)-O(1) bond length is 2.84 Å. The Tl(4)-O(12) bond length is 2.78 Å. The Tl(4)-O(13) bond length is 2.82 Å. The Tl(4)-O(3) bond length is 2.87 Å. There are four inequivalent Te sites. In the first Te site, Te(1) is bonded in a 5-coordinate geometry to one O(15), one O(2), one O(20), one O(5), and one O(7) atom. The Te(1)-O(15) bond length is 1.98 Å. The Te(1)-O(2) bond length is 1.92 Å. The Te(1)-O(20) bond length is 2.54 Å. The Te(1)-O(5) bond length is 2.34 Å. The Te(1)-O(7) bond length is 1.97 Å. In the second Te site, Te(2) is bonded in a 4-coordinate geometry to one O(19), one O(20), one O(4), and one O(7) atom. The Te(2)-O(19) bond length is 1.92 Å. The Te(2)-O(20) bond length is 1.94 Å. The Te(2)-O(4) bond length is 1.91 Å. The Te(2)-O(7) bond length is 2.50 Å. In the third Te site, Te(3) is bonded in a 5-coordinate geometry to one O(10), one O(12), one O(13), one O(14), and one O(8) atom. The Te(3)-O(10) bond length is 1.96 Å. The Te(3)-O(12) bond length is 1.89 Å. The Te(3)-O(13) bond length is 1.96 Å. The Te(3)-O(14) bond length is 2.56 Å. The Te(3)-O(8) bond length is 2.54 Å. In the fourth Te site, Te(4) is bonded in a rectangular see-saw-like geometry to one O(11), one O(14), one O(17), and one O(18) atom. The Te(4)-O(11) bond length is 2.23 Å. The Te(4)-O(14) bond length is 1.94 Å. The Te(4)-O(17) bond length is 1.90 Å. The Te(4)-O(18) bond length is 2.04 Å. There are twenty inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one V(2), one V(4), one Tl(1), and one Tl(4) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one V(2), one Tl(1), one Tl(2), and one Te(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Mg(1), one V(1), one V(3), and one Tl(4) atom. In the fourth O site, O(4) is bonded in a water-like geometry to one V(3) and one Te(2) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one V(1) and one Te(1) atom. In the sixth O site, O(6) is bonded in a distorted bent 150 degrees geometry to one V(1), one V(3), and one Tl(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one V(3), one Te(1), and one Te(2) atom. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to one V(2) and one Te(3) atom. In the ninth O site, O(9) is bonded in a distorted bent 150 degrees geometry to one V(2), one V(4), and one Tl(2) atom. In the tenth O site, O(10) is bonded in a bent 120 degrees geometry to one V(4) and one Te(3) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one V(2), one Tl(1), and one Te(4) atom. In the twelfth O site, O(12) is bonded in a 2-coordinate geometry to one V(1), one Tl(4), and one Te(3) atom. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one Mg(1), one V(3), one Tl(4), and one Te(3) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one V(1), one Te(3), and one Te(4) atom. In the fifteenth O site, O(15) is bonded in a 2-coordinate geometry to one V(4), one Tl(2), and one Te(1) atom. In the sixteenth O site, O(16) is bonded in a single-bond geometry to one V(4) atom. In the seventeenth O site, O(17) is bonded in a water-like geometry to one Mg(1), one Tl(2), and one Te(4) atom. In the eighteenth O site, O(18) is bonded in a distorted T-shaped geometry to one Mg(1), one V(3), and one Te(4) atom. In the nineteenth O site, O(19) is bonded in a distorted trigonal planar geometry to one V(1), one Tl(3), and one Te(2) atom. In the twentieth O site, O(20) is bonded in a distorted bent 120 degrees geometry to one V(2), one Te(1), and one Te(2) atom.