LiV3(TeO6)2 crystallizes in the triclinic P-1 space group. Li(1) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(11), one O(4), one O(8), and one O(9) atom. There are three inequivalent V sites. In the first V site, V(1) is bonded in a 6-coordinate geometry to one O(12), one O(2), one O(5), one O(7), and two equivalent O(3) atoms. In the second V site, V(2) is bonded in a 5-coordinate geometry to one O(10), one O(11), one O(2), one O(4), and one O(8) atom. In the third V site, V(3) is bonded in a distorted trigonal bipyramidal geometry to one O(1), one O(10), one O(3), one O(6), and one O(9) atom. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a 3-coordinate geometry to one O(12), one O(7), and one O(9) atom. In the second Te site, Te(2) is bonded in a 3-coordinate geometry to one O(1), one O(11), and one O(4) atom. There are twelve inequivalent O sites. In the first O site, O(12) is bonded in a distorted bent 150 degrees geometry to one V(1) and one Te(1) atom. In the second O site, O(1) is bonded in a trigonal planar geometry to one Li(1), one V(3), and one Te(2) atom. In the third O site, O(2) is bonded in a 2-coordinate geometry to one V(1) and one V(2) atom. In the fourth O site, O(3) is bonded in a 3-coordinate geometry to one V(3) and two equivalent V(1) atoms. In the fifth O site, O(4) is bonded in a trigonal planar geometry to one Li(1), one V(2), and one Te(2) atom. In the sixth O site, O(5) is bonded in a single-bond geometry to one V(1) atom. In the seventh O site, O(6) is bonded in a single-bond geometry to one V(3) atom. In the eighth O site, O(7) is bonded in a distorted bent 120 degrees geometry to one V(1) and one Te(1) atom. In the ninth O site, O(8) is bonded in a distorted linear geometry to one Li(1) and one V(2) atom. In the tenth O site, O(9) is bonded in a trigonal non-coplanar geometry to one Li(1), one V(3), and one Te(1) atom. In the eleventh O site, O(10) is bonded in a distorted bent 150 degrees geometry to one Li(1), one V(2), and one V(3) atom. In the twelfth O site, O(11) is bonded in a 3-coordinate geometry to one Li(1), one V(2), and one Te(2) atom.
LiV3(TeO6)2 crystallizes in the triclinic P-1 space group. Li(1) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(11), one O(4), one O(8), and one O(9) atom. The Li(1)-O(1) bond length is 2.10 Å. The Li(1)-O(10) bond length is 2.50 Å. The Li(1)-O(11) bond length is 2.52 Å. The Li(1)-O(4) bond length is 1.92 Å. The Li(1)-O(8) bond length is 2.09 Å. The Li(1)-O(9) bond length is 2.01 Å. There are three inequivalent V sites. In the first V site, V(1) is bonded in a 6-coordinate geometry to one O(12), one O(2), one O(5), one O(7), and two equivalent O(3) atoms. The V(1)-O(12) bond length is 1.88 Å. The V(1)-O(2) bond length is 1.81 Å. The V(1)-O(5) bond length is 1.62 Å. The V(1)-O(7) bond length is 1.95 Å. There is one shorter (1.96 Å) and one longer (2.34 Å) V(1)-O(3) bond length. In the second V site, V(2) is bonded in a 5-coordinate geometry to one O(10), one O(11), one O(2), one O(4), and one O(8) atom. The V(2)-O(10) bond length is 1.77 Å. The V(2)-O(11) bond length is 1.83 Å. The V(2)-O(2) bond length is 2.02 Å. The V(2)-O(4) bond length is 1.97 Å. The V(2)-O(8) bond length is 1.61 Å. In the third V site, V(3) is bonded in a distorted trigonal bipyramidal geometry to one O(1), one O(10), one O(3), one O(6), and one O(9) atom. The V(3)-O(1) bond length is 1.96 Å. The V(3)-O(10) bond length is 1.89 Å. The V(3)-O(3) bond length is 1.79 Å. The V(3)-O(6) bond length is 1.61 Å. The V(3)-O(9) bond length is 1.93 Å. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a 3-coordinate geometry to one O(12), one O(7), and one O(9) atom. The Te(1)-O(12) bond length is 1.89 Å. The Te(1)-O(7) bond length is 1.93 Å. The Te(1)-O(9) bond length is 1.89 Å. In the second Te site, Te(2) is bonded in a 3-coordinate geometry to one O(1), one O(11), and one O(4) atom. The Te(2)-O(1) bond length is 1.92 Å. The Te(2)-O(11) bond length is 1.92 Å. The Te(2)-O(4) bond length is 1.88 Å. There are twelve inequivalent O sites. In the first O site, O(12) is bonded in a distorted bent 150 degrees geometry to one V(1) and one Te(1) atom. In the second O site, O(1) is bonded in a trigonal planar geometry to one Li(1), one V(3), and one Te(2) atom. In the third O site, O(2) is bonded in a 2-coordinate geometry to one V(1) and one V(2) atom. In the fourth O site, O(3) is bonded in a 3-coordinate geometry to one V(3) and two equivalent V(1) atoms. In the fifth O site, O(4) is bonded in a trigonal planar geometry to one Li(1), one V(2), and one Te(2) atom. In the sixth O site, O(5) is bonded in a single-bond geometry to one V(1) atom. In the seventh O site, O(6) is bonded in a single-bond geometry to one V(3) atom. In the eighth O site, O(7) is bonded in a distorted bent 120 degrees geometry to one V(1) and one Te(1) atom. In the ninth O site, O(8) is bonded in a distorted linear geometry to one Li(1) and one V(2) atom. In the tenth O site, O(9) is bonded in a trigonal non-coplanar geometry to one Li(1), one V(3), and one Te(1) atom. In the eleventh O site, O(10) is bonded in a distorted bent 150 degrees geometry to one Li(1), one V(2), and one V(3) atom. In the twelfth O site, O(11) is bonded in a 3-coordinate geometry to one Li(1), one V(2), and one Te(2) atom.