LiV6O13 crystallizes in the triclinic P-1 space group. Li(1) is bonded in a 4-coordinate geometry to one O(1), one O(7), and two equivalent O(11) atoms. There are six inequivalent V sites. In the first V site, V(1) is bonded in a 5-coordinate geometry to one O(7), one O(8), and three equivalent O(1) atoms. In the second V site, V(2) is bonded in a 6-coordinate geometry to one O(10), one O(7), one O(9), and three equivalent O(2) atoms. In the third V site, V(3) is bonded to one O(5), one O(8), two equivalent O(12), and two equivalent O(4) atoms to form a mixture of distorted corner and edge-sharing VO6 octahedra. The corner-sharing octahedral tilt angles are 23°. In the fourth V site, V(4) is bonded in a 5-coordinate geometry to one O(13), one O(6), one O(9), and two equivalent O(3) atoms. In the fifth V site, V(5) is bonded in a 5-coordinate geometry to one O(10), one O(12), one O(3), and two equivalent O(6) atoms. In the sixth V site, V(6) is bonded in a 5-coordinate geometry to one O(11), one O(13), one O(4), and two equivalent O(5) atoms. There are thirteen inequivalent O sites. In the first O site, O(1) is bonded to one Li(1) and three equivalent V(1) atoms to form a mixture of distorted corner and edge-sharing OLiV3 tetrahedra. In the second O site, O(2) is bonded in a 3-coordinate geometry to three equivalent V(2) atoms. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one V(5) and two equivalent V(4) atoms. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one V(6) and two equivalent V(3) atoms. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one V(3) and two equivalent V(6) atoms. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one V(4) and two equivalent V(5) atoms. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Li(1), one V(1), and one V(2) atom. In the eighth O site, O(8) is bonded in a linear geometry to one V(1) and one V(3) atom. In the ninth O site, O(9) is bonded in a linear geometry to one V(2) and one V(4) atom. In the tenth O site, O(10) is bonded in a linear geometry to one V(2) and one V(5) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to two equivalent Li(1) and one V(6) atom. In the twelfth O site, O(12) is bonded in a distorted T-shaped geometry to one V(5) and two equivalent V(3) atoms. In the thirteenth O site, O(13) is bonded in a distorted bent 150 degrees geometry to one V(4) and one V(6) atom.
LiV6O13 crystallizes in the triclinic P-1 space group. Li(1) is bonded in a 4-coordinate geometry to one O(1), one O(7), and two equivalent O(11) atoms. The Li(1)-O(1) bond length is 2.04 Å. The Li(1)-O(7) bond length is 2.05 Å. There is one shorter (1.95 Å) and one longer (2.50 Å) Li(1)-O(11) bond length. There are six inequivalent V sites. In the first V site, V(1) is bonded in a 5-coordinate geometry to one O(7), one O(8), and three equivalent O(1) atoms. The V(1)-O(7) bond length is 1.95 Å. The V(1)-O(8) bond length is 1.79 Å. There are a spread of V(1)-O(1) bond distances ranging from 1.78-2.17 Å. In the second V site, V(2) is bonded in a 6-coordinate geometry to one O(10), one O(7), one O(9), and three equivalent O(2) atoms. The V(2)-O(10) bond length is 2.08 Å. The V(2)-O(7) bond length is 1.80 Å. The V(2)-O(9) bond length is 2.31 Å. There are a spread of V(2)-O(2) bond distances ranging from 1.79-2.19 Å. In the third V site, V(3) is bonded to one O(5), one O(8), two equivalent O(12), and two equivalent O(4) atoms to form a mixture of distorted corner and edge-sharing VO6 octahedra. The corner-sharing octahedral tilt angles are 23°. The V(3)-O(5) bond length is 2.06 Å. The V(3)-O(8) bond length is 2.09 Å. There is one shorter (1.90 Å) and one longer (2.08 Å) V(3)-O(12) bond length. There is one shorter (1.87 Å) and one longer (1.93 Å) V(3)-O(4) bond length. In the fourth V site, V(4) is bonded in a 5-coordinate geometry to one O(13), one O(6), one O(9), and two equivalent O(3) atoms. The V(4)-O(13) bond length is 1.77 Å. The V(4)-O(6) bond length is 2.06 Å. The V(4)-O(9) bond length is 1.78 Å. There is one shorter (1.86 Å) and one longer (1.99 Å) V(4)-O(3) bond length. In the fifth V site, V(5) is bonded in a 5-coordinate geometry to one O(10), one O(12), one O(3), and two equivalent O(6) atoms. The V(5)-O(10) bond length is 1.80 Å. The V(5)-O(12) bond length is 2.02 Å. The V(5)-O(3) bond length is 2.00 Å. There is one shorter (1.81 Å) and one longer (2.11 Å) V(5)-O(6) bond length. In the sixth V site, V(6) is bonded in a 5-coordinate geometry to one O(11), one O(13), one O(4), and two equivalent O(5) atoms. The V(6)-O(11) bond length is 1.77 Å. The V(6)-O(13) bond length is 1.94 Å. The V(6)-O(4) bond length is 2.04 Å. There is one shorter (1.79 Å) and one longer (2.12 Å) V(6)-O(5) bond length. There are thirteen inequivalent O sites. In the first O site, O(1) is bonded to one Li(1) and three equivalent V(1) atoms to form a mixture of distorted corner and edge-sharing OLiV3 tetrahedra. In the second O site, O(2) is bonded in a 3-coordinate geometry to three equivalent V(2) atoms. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one V(5) and two equivalent V(4) atoms. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one V(6) and two equivalent V(3) atoms. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one V(3) and two equivalent V(6) atoms. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one V(4) and two equivalent V(5) atoms. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Li(1), one V(1), and one V(2) atom. In the eighth O site, O(8) is bonded in a linear geometry to one V(1) and one V(3) atom. In the ninth O site, O(9) is bonded in a linear geometry to one V(2) and one V(4) atom. In the tenth O site, O(10) is bonded in a linear geometry to one V(2) and one V(5) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to two equivalent Li(1) and one V(6) atom. In the twelfth O site, O(12) is bonded in a distorted T-shaped geometry to one V(5) and two equivalent V(3) atoms. In the thirteenth O site, O(13) is bonded in a distorted bent 150 degrees geometry to one V(4) and one V(6) atom.