Li2Ni(CO3)2 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Ni(1)O5 trigonal bipyramid and  an edgeedge with one Ni(1)O5 trigonal bipyramid. In the second Li site, Li(2) is bonded in a 3-coordinate geometry to one O(4), one O(5), and one O(6) atom. Ni(1) is bonded to one O(1), one O(2), one O(3), one O(5), and one O(6) atom to form distorted NiO5 trigonal bipyramids that share  a cornercorner with one Li(1)O4 trigonal pyramid and  an edgeedge with one Li(1)O4 trigonal pyramid. There are two 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(3) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(4), one O(5), and one O(6) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(1), one Ni(1), and one C(1) atom. In the second O site, O(2) is bonded in a trigonal non-coplanar geometry to one Li(1), one Ni(1), and one C(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(1), one Ni(1), and one C(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(1), one Li(2), and one C(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(2), one Ni(1), and one C(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(2), one Ni(1), and one C(2) atom.
Li2Ni(CO3)2 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Ni(1)O5 trigonal bipyramid and  an edgeedge with one Ni(1)O5 trigonal bipyramid. The Li(1)-O(1) bond length is 2.00 Å. The Li(1)-O(2) bond length is 1.98 Å. The Li(1)-O(3) bond length is 1.98 Å. The Li(1)-O(4) bond length is 1.93 Å. In the second Li site, Li(2) is bonded in a 3-coordinate geometry to one O(4), one O(5), and one O(6) atom. The Li(2)-O(4) bond length is 2.02 Å. The Li(2)-O(5) bond length is 1.90 Å. The Li(2)-O(6) bond length is 1.96 Å. Ni(1) is bonded to one O(1), one O(2), one O(3), one O(5), and one O(6) atom to form distorted NiO5 trigonal bipyramids that share  a cornercorner with one Li(1)O4 trigonal pyramid and  an edgeedge with one Li(1)O4 trigonal pyramid. The Ni(1)-O(1) bond length is 1.99 Å. The Ni(1)-O(2) bond length is 2.03 Å. The Ni(1)-O(3) bond length is 2.04 Å. The Ni(1)-O(5) bond length is 2.06 Å. The Ni(1)-O(6) bond length is 2.03 Å. There are two 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(3) atom. The C(1)-O(1) bond length is 1.31 Å. The C(1)-O(2) bond length is 1.29 Å. The C(1)-O(3) bond length is 1.28 Å. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(4), one O(5), and one O(6) atom. The C(2)-O(4) bond length is 1.28 Å. The C(2)-O(5) bond length is 1.30 Å. The C(2)-O(6) bond length is 1.31 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(1), one Ni(1), and one C(1) atom. In the second O site, O(2) is bonded in a trigonal non-coplanar geometry to one Li(1), one Ni(1), and one C(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(1), one Ni(1), and one C(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(1), one Li(2), and one C(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(2), one Ni(1), and one C(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(2), one Ni(1), and one C(2) atom.