LiV2(CO3)4 crystallizes in the orthorhombic I2_12_12_1 space group. Li(1) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(2) atoms. There are two inequivalent V sites. In the first V site, V(1) is bonded in an octahedral geometry to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. In the second V site, V(2) is bonded in an octahedral geometry to two equivalent O(1), two equivalent O(5), and two equivalent O(6) atoms. There are two inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(2), one O(4), 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(3), and one O(5) atom. There are six inequivalent O sites. In the first O site, O(5) is bonded in a bent 150 degrees geometry to one V(2) and one C(2) atom. In the second O site, O(6) is bonded in a distorted bent 150 degrees geometry to one V(2) and one C(1) atom. In the third O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(1), one V(2), and one C(2) atom. In the fourth O site, O(2) is bonded in a distorted T-shaped geometry to one Li(1), one V(1), and one C(1) atom. In the fifth O site, O(3) is bonded in a bent 150 degrees geometry to one V(1) and one C(2) atom. In the sixth O site, O(4) is bonded in a 2-coordinate geometry to one V(1) and one C(1) atom.
LiV2(CO3)4 crystallizes in the orthorhombic I2_12_12_1 space group. Li(1) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(2) atoms. Both Li(1)-O(1) bond lengths are 1.95 Å. Both Li(1)-O(2) bond lengths are 1.98 Å. There are two inequivalent V sites. In the first V site, V(1) is bonded in an octahedral geometry to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. Both V(1)-O(2) bond lengths are 1.99 Å. Both V(1)-O(3) bond lengths are 2.08 Å. Both V(1)-O(4) bond lengths are 2.02 Å. In the second V site, V(2) is bonded in an octahedral geometry to two equivalent O(1), two equivalent O(5), and two equivalent O(6) atoms. Both V(2)-O(1) bond lengths are 2.07 Å. Both V(2)-O(5) bond lengths are 1.87 Å. Both V(2)-O(6) bond lengths are 1.97 Å. There are two inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(2), one O(4), and one O(6) atom. The C(1)-O(2) bond length is 1.31 Å. The C(1)-O(4) bond length is 1.28 Å. The C(1)-O(6) bond length is 1.29 Å. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(1), one O(3), and one O(5) atom. The C(2)-O(1) bond length is 1.31 Å. The C(2)-O(3) bond length is 1.26 Å. The C(2)-O(5) bond length is 1.30 Å. There are six inequivalent O sites. In the first O site, O(5) is bonded in a bent 150 degrees geometry to one V(2) and one C(2) atom. In the second O site, O(6) is bonded in a distorted bent 150 degrees geometry to one V(2) and one C(1) atom. In the third O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(1), one V(2), and one C(2) atom. In the fourth O site, O(2) is bonded in a distorted T-shaped geometry to one Li(1), one V(1), and one C(1) atom. In the fifth O site, O(3) is bonded in a bent 150 degrees geometry to one V(1) and one C(2) atom. In the sixth O site, O(4) is bonded in a 2-coordinate geometry to one V(1) and one C(1) atom.