Li4VTe(WO6)2 is Ilmenite-derived structured and crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to one O(1), one O(11), one O(4), one O(7), one O(8), and one O(9) atom. In the second Li site, Li(2) is bonded in a 5-coordinate geometry to one O(10), one O(12), one O(2), one O(3), and one O(5) atom. In the third Li site, Li(3) is bonded in a 6-coordinate geometry to one O(10), one O(2), one O(5), one O(6), one O(8), and one O(9) atom. In the fourth Li site, Li(4) is bonded in a 6-coordinate geometry to one O(1), one O(11), one O(12), one O(3), one O(4), and one O(7) atom. V(1) is bonded to one O(10), one O(11), one O(2), one O(3), one O(5), and one O(8) atom to form distorted VO6 octahedra that share corners with two equivalent W(1)O6 octahedra and corners with four equivalent W(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 27-44°. There are two inequivalent W sites. In the first W site, W(1) is bonded to one O(1), one O(11), one O(12), one O(2), one O(4), and one O(9) atom to form distorted WO6 octahedra that share corners with two equivalent V(1)O6 octahedra and corners with four equivalent Te(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 37-52°. In the second W site, W(2) is bonded to one O(10), one O(3), one O(5), one O(6), one O(7), and one O(8) atom to form WO6 octahedra that share corners with two equivalent Te(1)O6 octahedra and corners with four equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 27-44°. Te(1) is bonded to one O(1), one O(12), one O(4), one O(6), one O(7), and one O(9) atom to form distorted TeO6 octahedra that share corners with two equivalent W(2)O6 octahedra and corners with four equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-52°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(4), one W(1), and one Te(1) atom to form a mixture of distorted corner and edge-sharing OLi2TeW trigonal pyramids. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Li(2), one Li(3), one V(1), and one W(1) atom. In the third O site, O(3) is bonded in a distorted see-saw-like geometry to one Li(2), one Li(4), one V(1), and one W(2) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Li(1), one Li(4), one W(1), and one Te(1) atom. In the fifth O site, O(5) is bonded in a distorted see-saw-like geometry to one Li(2), one Li(3), one V(1), and one W(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(3), one W(2), and one Te(1) atom. In the seventh O site, O(7) is bonded in a distorted see-saw-like geometry to one Li(1), one Li(4), one W(2), and one Te(1) atom. In the eighth O site, O(8) is bonded in a distorted see-saw-like geometry to one Li(1), one Li(3), one V(1), and one W(2) atom. In the ninth O site, O(9) is bonded to one Li(1), one Li(3), one W(1), and one Te(1) atom to form a mixture of distorted corner and edge-sharing OLi2TeW trigonal pyramids. In the tenth O site, O(10) is bonded in a distorted see-saw-like geometry to one Li(2), one Li(3), one V(1), and one W(2) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Li(1), one Li(4), one V(1), and one W(1) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Li(2), one Li(4), one W(1), and one Te(1) atom.
Li4VTe(WO6)2 is Ilmenite-derived structured and crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to one O(1), one O(11), one O(4), one O(7), one O(8), and one O(9) atom. The Li(1)-O(1) bond length is 2.42 Å. The Li(1)-O(11) bond length is 2.26 Å. The Li(1)-O(4) bond length is 2.01 Å. The Li(1)-O(7) bond length is 2.05 Å. The Li(1)-O(8) bond length is 2.06 Å. The Li(1)-O(9) bond length is 2.42 Å. In the second Li site, Li(2) is bonded in a 5-coordinate geometry to one O(10), one O(12), one O(2), one O(3), and one O(5) atom. The Li(2)-O(10) bond length is 2.01 Å. The Li(2)-O(12) bond length is 2.10 Å. The Li(2)-O(2) bond length is 2.07 Å. The Li(2)-O(3) bond length is 2.27 Å. The Li(2)-O(5) bond length is 2.15 Å. In the third Li site, Li(3) is bonded in a 6-coordinate geometry to one O(10), one O(2), one O(5), one O(6), one O(8), and one O(9) atom. The Li(3)-O(10) bond length is 2.14 Å. The Li(3)-O(2) bond length is 2.46 Å. The Li(3)-O(5) bond length is 2.03 Å. The Li(3)-O(6) bond length is 2.01 Å. The Li(3)-O(8) bond length is 2.30 Å. The Li(3)-O(9) bond length is 2.16 Å. In the fourth Li site, Li(4) is bonded in a 6-coordinate geometry to one O(1), one O(11), one O(12), one O(3), one O(4), and one O(7) atom. The Li(4)-O(1) bond length is 2.02 Å. The Li(4)-O(11) bond length is 2.14 Å. The Li(4)-O(12) bond length is 2.51 Å. The Li(4)-O(3) bond length is 2.08 Å. The Li(4)-O(4) bond length is 2.38 Å. The Li(4)-O(7) bond length is 2.23 Å. V(1) is bonded to one O(10), one O(11), one O(2), one O(3), one O(5), and one O(8) atom to form distorted VO6 octahedra that share corners with two equivalent W(1)O6 octahedra and corners with four equivalent W(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 27-44°. The V(1)-O(10) bond length is 2.06 Å. The V(1)-O(11) bond length is 1.75 Å. The V(1)-O(2) bond length is 2.32 Å. The V(1)-O(3) bond length is 1.96 Å. The V(1)-O(5) bond length is 1.98 Å. The V(1)-O(8) bond length is 2.08 Å. There are two inequivalent W sites. In the first W site, W(1) is bonded to one O(1), one O(11), one O(12), one O(2), one O(4), and one O(9) atom to form distorted WO6 octahedra that share corners with two equivalent V(1)O6 octahedra and corners with four equivalent Te(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 37-52°. The W(1)-O(1) bond length is 2.07 Å. The W(1)-O(11) bond length is 2.35 Å. The W(1)-O(12) bond length is 1.84 Å. The W(1)-O(2) bond length is 1.83 Å. The W(1)-O(4) bond length is 1.85 Å. The W(1)-O(9) bond length is 2.04 Å. In the second W site, W(2) is bonded to one O(10), one O(3), one O(5), one O(6), one O(7), and one O(8) atom to form WO6 octahedra that share corners with two equivalent Te(1)O6 octahedra and corners with four equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 27-44°. The W(2)-O(10) bond length is 1.93 Å. The W(2)-O(3) bond length is 1.99 Å. The W(2)-O(5) bond length is 2.01 Å. The W(2)-O(6) bond length is 2.08 Å. The W(2)-O(7) bond length is 1.84 Å. The W(2)-O(8) bond length is 1.92 Å. Te(1) is bonded to one O(1), one O(12), one O(4), one O(6), one O(7), and one O(9) atom to form distorted TeO6 octahedra that share corners with two equivalent W(2)O6 octahedra and corners with four equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-52°. The Te(1)-O(1) bond length is 1.98 Å. The Te(1)-O(12) bond length is 2.43 Å. The Te(1)-O(4) bond length is 2.44 Å. The Te(1)-O(6) bond length is 1.95 Å. The Te(1)-O(7) bond length is 2.45 Å. The Te(1)-O(9) bond length is 2.00 Å. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(4), one W(1), and one Te(1) atom to form a mixture of distorted corner and edge-sharing OLi2TeW trigonal pyramids. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Li(2), one Li(3), one V(1), and one W(1) atom. In the third O site, O(3) is bonded in a distorted see-saw-like geometry to one Li(2), one Li(4), one V(1), and one W(2) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Li(1), one Li(4), one W(1), and one Te(1) atom. In the fifth O site, O(5) is bonded in a distorted see-saw-like geometry to one Li(2), one Li(3), one V(1), and one W(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(3), one W(2), and one Te(1) atom. In the seventh O site, O(7) is bonded in a distorted see-saw-like geometry to one Li(1), one Li(4), one W(2), and one Te(1) atom. In the eighth O site, O(8) is bonded in a distorted see-saw-like geometry to one Li(1), one Li(3), one V(1), and one W(2) atom. In the ninth O site, O(9) is bonded to one Li(1), one Li(3), one W(1), and one Te(1) atom to form a mixture of distorted corner and edge-sharing OLi2TeW trigonal pyramids. In the tenth O site, O(10) is bonded in a distorted see-saw-like geometry to one Li(2), one Li(3), one V(1), and one W(2) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Li(1), one Li(4), one V(1), and one W(1) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Li(2), one Li(4), one W(1), and one Te(1) atom.