Li4CO4 crystallizes in the monoclinic C2 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(2) atoms. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(2) atoms. C(1) is bonded in a tetrahedral geometry to two equivalent O(1) and two equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to two equivalent Li(1), two equivalent Li(2), and one C(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to two equivalent Li(1), two equivalent Li(2), and one C(1) atom.
Li4CO4 crystallizes in the monoclinic C2 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(2) atoms. There is one shorter (2.06 Å) and one longer (2.13 Å) Li(1)-O(1) bond length. There is one shorter (1.90 Å) and one longer (1.97 Å) Li(1)-O(2) bond length. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(2) atoms. There is one shorter (1.90 Å) and one longer (1.97 Å) Li(2)-O(1) bond length. There is one shorter (2.06 Å) and one longer (2.12 Å) Li(2)-O(2) bond length. C(1) is bonded in a tetrahedral geometry to two equivalent O(1) and two equivalent O(2) atoms. Both C(1)-O(1) bond lengths are 1.42 Å. Both C(1)-O(2) bond lengths are 1.42 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to two equivalent Li(1), two equivalent Li(2), and one C(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to two equivalent Li(1), two equivalent Li(2), and one C(1) atom.