LiV(CO3)2 crystallizes in the triclinic P-1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a distorted T-shaped geometry to one O(11), one O(4), and one O(9) atom. In the second Li site, Li(2) is bonded in a trigonal non-coplanar geometry to one O(1), one O(6), and one O(8) atom. There are two inequivalent V sites. In the first V site, V(1) is bonded in a pentagonal bipyramidal geometry to one O(1), one O(11), one O(2), one O(4), one O(5), one O(8), and one O(9) atom. In the second V site, V(2) is bonded to one O(10), one O(12), one O(6), one O(7), and two equivalent O(3) atoms to form distorted edge-sharing VO6 pentagonal pyramids. There are four inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(2), one O(3), and one O(6) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(1), one O(4), and one O(7) atom. In the third C site, C(3) is bonded in a trigonal planar geometry to one O(10), one O(8), and one O(9) atom. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one O(11), one O(12), and one O(5) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(2), one V(1), and one C(2) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one V(1) and one C(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to two equivalent V(2) and one C(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(1), one V(1), and one C(2) atom. In the fifth O site, O(5) is bonded in a distorted L-shaped geometry to one V(1) and one C(4) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(2), one V(2), and one C(1) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one V(2) and one C(2) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Li(2), one V(1), and one C(3) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Li(1), one V(1), and one C(3) atom. In the tenth O site, O(10) is bonded in a distorted bent 120 degrees geometry to one V(2) and one C(3) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Li(1), one V(1), and one C(4) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one V(2) and one C(4) atom.
LiV(CO3)2 crystallizes in the triclinic P-1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a distorted T-shaped geometry to one O(11), one O(4), and one O(9) atom. The Li(1)-O(11) bond length is 1.88 Å. The Li(1)-O(4) bond length is 2.09 Å. The Li(1)-O(9) bond length is 2.01 Å. In the second Li site, Li(2) is bonded in a trigonal non-coplanar geometry to one O(1), one O(6), and one O(8) atom. The Li(2)-O(1) bond length is 1.90 Å. The Li(2)-O(6) bond length is 1.90 Å. The Li(2)-O(8) bond length is 1.95 Å. There are two inequivalent V sites. In the first V site, V(1) is bonded in a pentagonal bipyramidal geometry to one O(1), one O(11), one O(2), one O(4), one O(5), one O(8), and one O(9) atom. The V(1)-O(1) bond length is 2.11 Å. The V(1)-O(11) bond length is 2.12 Å. The V(1)-O(2) bond length is 2.15 Å. The V(1)-O(4) bond length is 2.09 Å. The V(1)-O(5) bond length is 2.21 Å. The V(1)-O(8) bond length is 2.11 Å. The V(1)-O(9) bond length is 2.18 Å. In the second V site, V(2) is bonded to one O(10), one O(12), one O(6), one O(7), and two equivalent O(3) atoms to form distorted edge-sharing VO6 pentagonal pyramids. The V(2)-O(10) bond length is 2.01 Å. The V(2)-O(12) bond length is 2.02 Å. The V(2)-O(6) bond length is 2.20 Å. The V(2)-O(7) bond length is 2.04 Å. There is one shorter (2.08 Å) and one longer (2.12 Å) V(2)-O(3) bond length. There are four inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(2), one O(3), and one O(6) atom. The C(1)-O(2) bond length is 1.26 Å. The C(1)-O(3) bond length is 1.32 Å. The C(1)-O(6) bond length is 1.30 Å. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(1), one O(4), and one O(7) atom. The C(2)-O(1) bond length is 1.29 Å. The C(2)-O(4) bond length is 1.30 Å. The C(2)-O(7) bond length is 1.29 Å. In the third C site, C(3) is bonded in a trigonal planar geometry to one O(10), one O(8), and one O(9) atom. The C(3)-O(10) bond length is 1.28 Å. The C(3)-O(8) bond length is 1.30 Å. The C(3)-O(9) bond length is 1.30 Å. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one O(11), one O(12), and one O(5) atom. The C(4)-O(11) bond length is 1.30 Å. The C(4)-O(12) bond length is 1.27 Å. The C(4)-O(5) bond length is 1.29 Å. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(2), one V(1), and one C(2) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one V(1) and one C(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to two equivalent V(2) and one C(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(1), one V(1), and one C(2) atom. In the fifth O site, O(5) is bonded in a distorted L-shaped geometry to one V(1) and one C(4) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(2), one V(2), and one C(1) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one V(2) and one C(2) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Li(2), one V(1), and one C(3) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Li(1), one V(1), and one C(3) atom. In the tenth O site, O(10) is bonded in a distorted bent 120 degrees geometry to one V(2) and one C(3) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Li(1), one V(1), and one C(4) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one V(2) and one C(4) atom.