Li2V(CO3)2 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 4-coordinate geometry to one O(1), one O(11), one O(2), and one O(5) atom. In the second Li site, Li(2) is bonded in a 3-coordinate geometry to one O(2), one O(3), one O(6), and one O(8) atom. In the third Li site, Li(3) is bonded in a trigonal non-coplanar geometry to one O(12), one O(6), and one O(7) atom. In the fourth Li site, Li(4) is bonded in a 3-coordinate geometry to one O(10), one O(12), one O(4), and one O(9) atom. There are three inequivalent V sites. In the first V site, V(1) is bonded in an octahedral geometry to one O(1), one O(10), one O(2), one O(3), one O(5), and one O(7) atom. In the second V site, V(2) is bonded in an octahedral geometry to two equivalent O(4), two equivalent O(6), and two equivalent O(8) atoms. In the third V site, V(3) is bonded in an octahedral geometry to two equivalent O(11), two equivalent O(12), and two equivalent O(9) atoms. There are four inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(6) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(5), one O(8), and one O(9) atom. In the third C site, C(3) is bonded in a trigonal planar geometry to one O(11), one O(3), and one O(7) atom. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one O(10), one O(12), and one O(4) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(1), one V(1), and one C(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one V(1), and one C(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(2), one V(1), and one C(3) atom. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Li(4), one V(2), and one C(4) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(1), one V(1), and one C(2) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Li(2), one Li(3), one V(2), and one C(1) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Li(3), one V(1), and one C(3) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Li(2), one V(2), and one C(2) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Li(4), one V(3), and one C(2) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Li(4), one V(1), and one C(4) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Li(1), one V(3), and one C(3) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Li(3), one Li(4), one V(3), and one C(4) atom.
Li2V(CO3)2 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 4-coordinate geometry to one O(1), one O(11), one O(2), and one O(5) atom. The Li(1)-O(1) bond length is 1.99 Å. The Li(1)-O(11) bond length is 2.03 Å. The Li(1)-O(2) bond length is 2.38 Å. The Li(1)-O(5) bond length is 1.95 Å. In the second Li site, Li(2) is bonded in a 3-coordinate geometry to one O(2), one O(3), one O(6), and one O(8) atom. The Li(2)-O(2) bond length is 1.99 Å. The Li(2)-O(3) bond length is 2.04 Å. The Li(2)-O(6) bond length is 2.49 Å. The Li(2)-O(8) bond length is 1.97 Å. In the third Li site, Li(3) is bonded in a trigonal non-coplanar geometry to one O(12), one O(6), and one O(7) atom. The Li(3)-O(12) bond length is 1.98 Å. The Li(3)-O(6) bond length is 2.00 Å. The Li(3)-O(7) bond length is 1.99 Å. In the fourth Li site, Li(4) is bonded in a 3-coordinate geometry to one O(10), one O(12), one O(4), and one O(9) atom. The Li(4)-O(10) bond length is 1.97 Å. The Li(4)-O(12) bond length is 2.46 Å. The Li(4)-O(4) bond length is 2.05 Å. The Li(4)-O(9) bond length is 1.94 Å. There are three inequivalent V sites. In the first V site, V(1) is bonded in an octahedral geometry to one O(1), one O(10), one O(2), one O(3), one O(5), and one O(7) atom. The V(1)-O(1) bond length is 2.17 Å. The V(1)-O(10) bond length is 2.15 Å. The V(1)-O(2) bond length is 2.21 Å. The V(1)-O(3) bond length is 2.18 Å. The V(1)-O(5) bond length is 2.19 Å. The V(1)-O(7) bond length is 2.16 Å. In the second V site, V(2) is bonded in an octahedral geometry to two equivalent O(4), two equivalent O(6), and two equivalent O(8) atoms. Both V(2)-O(4) bond lengths are 2.17 Å. Both V(2)-O(6) bond lengths are 2.16 Å. Both V(2)-O(8) bond lengths are 2.17 Å. In the third V site, V(3) is bonded in an octahedral geometry to two equivalent O(11), two equivalent O(12), and two equivalent O(9) atoms. Both V(3)-O(11) bond lengths are 2.19 Å. Both V(3)-O(12) bond lengths are 2.19 Å. Both V(3)-O(9) bond lengths are 2.17 Å. There are four inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(6) atom. The C(1)-O(1) bond length is 1.29 Å. The C(1)-O(2) bond length is 1.30 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(5), one O(8), and one O(9) atom. The C(2)-O(5) bond length is 1.30 Å. The C(2)-O(8) bond length is 1.30 Å. The C(2)-O(9) bond length is 1.30 Å. In the third C site, C(3) is bonded in a trigonal planar geometry to one O(11), one O(3), and one O(7) atom. The C(3)-O(11) bond length is 1.30 Å. The C(3)-O(3) bond length is 1.30 Å. The C(3)-O(7) bond length is 1.30 Å. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one O(10), one O(12), and one O(4) atom. The C(4)-O(10) bond length is 1.30 Å. The C(4)-O(12) bond length is 1.31 Å. The C(4)-O(4) bond length is 1.30 Å. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(1), one V(1), and one C(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one V(1), and one C(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(2), one V(1), and one C(3) atom. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Li(4), one V(2), and one C(4) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(1), one V(1), and one C(2) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Li(2), one Li(3), one V(2), and one C(1) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Li(3), one V(1), and one C(3) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Li(2), one V(2), and one C(2) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Li(4), one V(3), and one C(2) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Li(4), one V(1), and one C(4) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Li(1), one V(3), and one C(3) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Li(3), one Li(4), one V(3), and one C(4) atom.