Li4V3CrO8 crystallizes in the triclinic P-1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded in a 2-coordinate geometry to one V(1), one Cr(1), one O(3), one O(4), one O(6), one O(7), and one O(8) atom. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one V(1), one V(2), one O(3), one O(4), one O(5), one O(6), and one O(8) atom. In the third Li site, Li(3) is bonded in a 2-coordinate geometry to one V(4), one Cr(1), one O(4), one O(5), one O(7), and two equivalent O(2) atoms. In the fourth Li site, Li(4) is bonded in a 4-coordinate geometry to one V(2), one V(3), one O(5), one O(7), one O(8), and two equivalent O(1) atoms. There are four inequivalent V sites. In the first V site, V(1) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one O(3), one O(6), two equivalent O(5), and two equivalent O(7) atoms. In the second V site, V(2) is bonded in a 4-coordinate geometry to one Li(2), one Li(4), one O(1), one O(2), one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom. In the third V site, V(3) is bonded in a 4-coordinate geometry to two equivalent Li(4), two equivalent O(1), two equivalent O(4), and two equivalent O(8) atoms. In the fourth V site, V(4) is bonded in a 4-coordinate geometry to two equivalent Li(3), two equivalent O(2), two equivalent O(4), and two equivalent O(8) atoms. Cr(1) is bonded in a 4-coordinate geometry to one Li(1), one Li(3), one O(1), one O(4), one O(6), and one O(7) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 7-coordinate geometry to two equivalent Li(4), one V(2), one V(3), one Cr(1), one O(1), and one O(8) atom. In the second O site, O(2) is bonded in a 6-coordinate geometry to two equivalent Li(3), one V(2), one V(4), one O(2), and one O(4) atom. In the third O site, O(3) is bonded in a 6-coordinate geometry to one Li(1), one Li(2), one V(1), one V(2), one O(6), and one O(7) atom. In the fourth O site, O(4) is bonded in a 9-coordinate geometry to one Li(1), one Li(2), one Li(3), one V(2), one V(3), one V(4), one Cr(1), one O(2), and one O(7) atom. In the fifth O site, O(5) is bonded in a 8-coordinate geometry to one Li(2), one Li(3), one Li(4), one V(2), two equivalent V(1), one O(6), and one O(8) atom. In the sixth O site, O(6) is bonded in a 7-coordinate geometry to one Li(1), one Li(2), one V(1), one V(2), one Cr(1), one O(3), and one O(5) atom. In the seventh O site, O(7) is bonded in a 9-coordinate geometry to one Li(1), one Li(3), one Li(4), one V(2), two equivalent V(1), one Cr(1), one O(3), and one O(4) atom. In the eighth O site, O(8) is bonded in a 8-coordinate geometry to one Li(1), one Li(2), one Li(4), one V(2), one V(3), one V(4), one O(1), and one O(5) atom.
Li4V3CrO8 crystallizes in the triclinic P-1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded in a 2-coordinate geometry to one V(1), one Cr(1), one O(3), one O(4), one O(6), one O(7), and one O(8) atom. The Li(1)-V(1) bond length is 1.67 Å. The Li(1)-Cr(1) bond length is 1.67 Å. The Li(1)-O(3) bond length is 2.35 Å. The Li(1)-O(4) bond length is 2.46 Å. The Li(1)-O(6) bond length is 2.50 Å. The Li(1)-O(7) bond length is 2.37 Å. The Li(1)-O(8) bond length is 2.70 Å. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one V(1), one V(2), one O(3), one O(4), one O(5), one O(6), and one O(8) atom. The Li(2)-V(1) bond length is 1.67 Å. The Li(2)-V(2) bond length is 1.68 Å. The Li(2)-O(3) bond length is 2.50 Å. The Li(2)-O(4) bond length is 2.64 Å. The Li(2)-O(5) bond length is 2.32 Å. The Li(2)-O(6) bond length is 2.37 Å. The Li(2)-O(8) bond length is 2.50 Å. In the third Li site, Li(3) is bonded in a 2-coordinate geometry to one V(4), one Cr(1), one O(4), one O(5), one O(7), and two equivalent O(2) atoms. The Li(3)-V(4) bond length is 1.68 Å. The Li(3)-Cr(1) bond length is 1.66 Å. The Li(3)-O(4) bond length is 2.37 Å. The Li(3)-O(5) bond length is 2.70 Å. The Li(3)-O(7) bond length is 2.46 Å. There is one shorter (2.36 Å) and one longer (2.49 Å) Li(3)-O(2) bond length. In the fourth Li site, Li(4) is bonded in a 4-coordinate geometry to one V(2), one V(3), one O(5), one O(7), one O(8), and two equivalent O(1) atoms. The Li(4)-V(2) bond length is 1.68 Å. The Li(4)-V(3) bond length is 1.66 Å. The Li(4)-O(5) bond length is 2.49 Å. The Li(4)-O(7) bond length is 2.65 Å. The Li(4)-O(8) bond length is 2.32 Å. There is one shorter (2.36 Å) and one longer (2.49 Å) Li(4)-O(1) bond length. There are four inequivalent V sites. In the first V site, V(1) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one O(3), one O(6), two equivalent O(5), and two equivalent O(7) atoms. The V(1)-O(3) bond length is 2.21 Å. The V(1)-O(6) bond length is 2.19 Å. There is one shorter (2.52 Å) and one longer (2.74 Å) V(1)-O(5) bond length. There is one shorter (2.56 Å) and one longer (2.75 Å) V(1)-O(7) bond length. In the second V site, V(2) is bonded in a 4-coordinate geometry to one Li(2), one Li(4), one O(1), one O(2), one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom. The V(2)-O(1) bond length is 2.54 Å. The V(2)-O(2) bond length is 2.73 Å. The V(2)-O(3) bond length is 2.71 Å. The V(2)-O(4) bond length is 2.83 Å. The V(2)-O(5) bond length is 2.21 Å. The V(2)-O(6) bond length is 2.54 Å. The V(2)-O(7) bond length is 2.85 Å. The V(2)-O(8) bond length is 2.22 Å. In the third V site, V(3) is bonded in a 4-coordinate geometry to two equivalent Li(4), two equivalent O(1), two equivalent O(4), and two equivalent O(8) atoms. Both V(3)-O(1) bond lengths are 2.20 Å. Both V(3)-O(4) bond lengths are 2.77 Å. Both V(3)-O(8) bond lengths are 2.51 Å. In the fourth V site, V(4) is bonded in a 4-coordinate geometry to two equivalent Li(3), two equivalent O(2), two equivalent O(4), and two equivalent O(8) atoms. Both V(4)-O(2) bond lengths are 2.19 Å. Both V(4)-O(4) bond lengths are 2.56 Å. Both V(4)-O(8) bond lengths are 2.73 Å. Cr(1) is bonded in a 4-coordinate geometry to one Li(1), one Li(3), one O(1), one O(4), one O(6), and one O(7) atom. The Cr(1)-O(1) bond length is 2.69 Å. The Cr(1)-O(4) bond length is 2.17 Å. The Cr(1)-O(6) bond length is 2.71 Å. The Cr(1)-O(7) bond length is 2.17 Å. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 7-coordinate geometry to two equivalent Li(4), one V(2), one V(3), one Cr(1), one O(1), and one O(8) atom. The O(1)-O(1) bond length is 1.79 Å. The O(1)-O(8) bond length is 1.55 Å. In the second O site, O(2) is bonded in a 6-coordinate geometry to two equivalent Li(3), one V(2), one V(4), one O(2), and one O(4) atom. The O(2)-O(2) bond length is 1.80 Å. The O(2)-O(4) bond length is 1.55 Å. In the third O site, O(3) is bonded in a 6-coordinate geometry to one Li(1), one Li(2), one V(1), one V(2), one O(6), and one O(7) atom. The O(3)-O(6) bond length is 1.80 Å. The O(3)-O(7) bond length is 1.55 Å. In the fourth O site, O(4) is bonded in a 9-coordinate geometry to one Li(1), one Li(2), one Li(3), one V(2), one V(3), one V(4), one Cr(1), one O(2), and one O(7) atom. The O(4)-O(7) bond length is 1.82 Å. In the fifth O site, O(5) is bonded in a 8-coordinate geometry to one Li(2), one Li(3), one Li(4), one V(2), two equivalent V(1), one O(6), and one O(8) atom. The O(5)-O(6) bond length is 1.55 Å. The O(5)-O(8) bond length is 1.81 Å. In the sixth O site, O(6) is bonded in a 7-coordinate geometry to one Li(1), one Li(2), one V(1), one V(2), one Cr(1), one O(3), and one O(5) atom. In the seventh O site, O(7) is bonded in a 9-coordinate geometry to one Li(1), one Li(3), one Li(4), one V(2), two equivalent V(1), one Cr(1), one O(3), and one O(4) atom. In the eighth O site, O(8) is bonded in a 8-coordinate geometry to one Li(1), one Li(2), one Li(4), one V(2), one V(3), one V(4), one O(1), and one O(5) atom.