Li2Ni(CO3)2 crystallizes in the triclinic P1 space group. There are eight inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(17), one O(23), one O(5), and one O(9) atom to form distorted corner-sharing LiO5 trigonal bipyramids. In the second Li site, Li(2) is bonded to one O(10), one O(18), one O(2), one O(24), and one O(6) atom to form distorted corner-sharing LiO5 trigonal bipyramids. In the third Li site, Li(3) is bonded to one O(11), one O(19), one O(22), one O(3), and one O(7) atom to form distorted corner-sharing LiO5 trigonal bipyramids. In the fourth Li site, Li(4) is bonded to one O(12), one O(20), one O(21), one O(4), and one O(8) atom to form distorted corner-sharing LiO5 trigonal bipyramids. In the fifth Li site, Li(5) is bonded to one O(1), one O(13), one O(20), one O(21), and one O(5) atom to form distorted corner-sharing LiO5 trigonal bipyramids. In the sixth Li site, Li(6) is bonded to one O(14), one O(19), one O(2), one O(22), and one O(6) atom to form distorted corner-sharing LiO5 trigonal bipyramids. In the seventh Li site, Li(7) is bonded to one O(15), one O(17), one O(23), one O(3), and one O(7) atom to form distorted corner-sharing LiO5 trigonal bipyramids. In the eighth Li site, Li(8) is bonded to one O(16), one O(18), one O(24), one O(4), and one O(8) atom to form distorted corner-sharing LiO5 trigonal bipyramids. There are four inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a distorted rectangular see-saw-like geometry to one O(12), one O(14), one O(18), and one O(24) atom. In the second Ni site, Ni(2) is bonded in a distorted rectangular see-saw-like geometry to one O(16), one O(20), one O(21), and one O(9) atom. In the third Ni site, Ni(3) is bonded in a distorted rectangular see-saw-like geometry to one O(11), one O(13), one O(17), and one O(23) atom. In the fourth Ni site, Ni(4) is bonded in a distorted rectangular see-saw-like geometry to one O(10), one O(15), one O(19), and one O(22) atom. There are eight inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(1), one O(17), and one O(9) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(10), one O(18), and one O(2) atom. In the third C site, C(3) is bonded in a trigonal planar geometry to one O(11), one O(19), and one O(3) atom. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one O(12), one O(20), and one O(4) atom. In the fifth C site, C(5) is bonded in a trigonal planar geometry to one O(13), one O(21), and one O(5) atom. In the sixth C site, C(6) is bonded in a trigonal planar geometry to one O(14), one O(22), and one O(6) atom. In the seventh C site, C(7) is bonded in a trigonal planar geometry to one O(15), one O(23), and one O(7) atom. In the eighth C site, C(8) is bonded in a trigonal planar geometry to one O(16), one O(24), and one O(8) atom. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(1), one Li(5), and one C(1) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Li(2), one Li(6), and one C(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(3), one Li(7), 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 Li(8), and one C(4) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(1), one Li(5), and one C(5) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(2), one Li(6), and one C(6) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Li(3), one Li(7), and one C(7) atom. In the eighth O site, O(8) is bonded in a distorted trigonal non-coplanar geometry to one Li(4), one Li(8), and one C(8) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Li(1), one Ni(2), and one C(1) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Li(2), one Ni(4), and one C(2) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Li(3), one Ni(3), and one C(3) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Li(4), one Ni(1), and one C(4) atom. In the thirteenth O site, O(13) is bonded in a distorted trigonal planar geometry to one Li(5), one Ni(3), and one C(5) atom. In the fourteenth O site, O(14) is bonded in a distorted trigonal planar geometry to one Li(6), one Ni(1), and one C(6) atom. In the fifteenth O site, O(15) is bonded in a distorted trigonal planar geometry to one Li(7), one Ni(4), and one C(7) atom. In the sixteenth O site, O(16) is bonded in a distorted trigonal planar geometry to one Li(8), one Ni(2), and one C(8) atom. In the seventeenth O site, O(17) is bonded in a 4-coordinate geometry to one Li(1), one Li(7), one Ni(3), and one C(1) atom. In the eighteenth O site, O(18) is bonded in a 4-coordinate geometry to one Li(2), one Li(8), one Ni(1), and one C(2) atom. In the nineteenth O site, O(19) is bonded in a 4-coordinate geometry to one Li(3), one Li(6), one Ni(4), and one C(3) atom. In the twentieth O site, O(20) is bonded in a 4-coordinate geometry to one Li(4), one Li(5), one Ni(2), and one C(4) atom. In the twenty-first O site, O(21) is bonded in a 4-coordinate geometry to one Li(4), one Li(5), one Ni(2), and one C(5) atom. In the twenty-second O site, O(22) is bonded in a 4-coordinate geometry to one Li(3), one Li(6), one Ni(4), and one C(6) atom. In the twenty-third O site, O(23) is bonded in a 4-coordinate geometry to one Li(1), one Li(7), one Ni(3), and one C(7) atom. In the twenty-fourth O site, O(24) is bonded in a 4-coordinate geometry to one Li(2), one Li(8), one Ni(1), and one C(8) atom.
Li2Ni(CO3)2 crystallizes in the triclinic P1 space group. There are eight inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(17), one O(23), one O(5), and one O(9) atom to form distorted corner-sharing LiO5 trigonal bipyramids. The Li(1)-O(1) bond length is 2.09 Å. The Li(1)-O(17) bond length is 2.30 Å. The Li(1)-O(23) bond length is 2.07 Å. The Li(1)-O(5) bond length is 2.16 Å. The Li(1)-O(9) bond length is 2.00 Å. In the second Li site, Li(2) is bonded to one O(10), one O(18), one O(2), one O(24), and one O(6) atom to form distorted corner-sharing LiO5 trigonal bipyramids. The Li(2)-O(10) bond length is 2.00 Å. The Li(2)-O(18) bond length is 2.32 Å. The Li(2)-O(2) bond length is 2.08 Å. The Li(2)-O(24) bond length is 2.06 Å. The Li(2)-O(6) bond length is 2.17 Å. In the third Li site, Li(3) is bonded to one O(11), one O(19), one O(22), one O(3), and one O(7) atom to form distorted corner-sharing LiO5 trigonal bipyramids. The Li(3)-O(11) bond length is 2.00 Å. The Li(3)-O(19) bond length is 2.33 Å. The Li(3)-O(22) bond length is 2.07 Å. The Li(3)-O(3) bond length is 2.07 Å. The Li(3)-O(7) bond length is 2.16 Å. In the fourth Li site, Li(4) is bonded to one O(12), one O(20), one O(21), one O(4), and one O(8) atom to form distorted corner-sharing LiO5 trigonal bipyramids. The Li(4)-O(12) bond length is 2.00 Å. The Li(4)-O(20) bond length is 2.32 Å. The Li(4)-O(21) bond length is 2.07 Å. The Li(4)-O(4) bond length is 2.07 Å. The Li(4)-O(8) bond length is 2.16 Å. In the fifth Li site, Li(5) is bonded to one O(1), one O(13), one O(20), one O(21), and one O(5) atom to form distorted corner-sharing LiO5 trigonal bipyramids. The Li(5)-O(1) bond length is 2.17 Å. The Li(5)-O(13) bond length is 2.00 Å. The Li(5)-O(20) bond length is 2.06 Å. The Li(5)-O(21) bond length is 2.30 Å. The Li(5)-O(5) bond length is 2.09 Å. In the sixth Li site, Li(6) is bonded to one O(14), one O(19), one O(2), one O(22), and one O(6) atom to form distorted corner-sharing LiO5 trigonal bipyramids. The Li(6)-O(14) bond length is 2.00 Å. The Li(6)-O(19) bond length is 2.07 Å. The Li(6)-O(2) bond length is 2.16 Å. The Li(6)-O(22) bond length is 2.31 Å. The Li(6)-O(6) bond length is 2.08 Å. In the seventh Li site, Li(7) is bonded to one O(15), one O(17), one O(23), one O(3), and one O(7) atom to form distorted corner-sharing LiO5 trigonal bipyramids. The Li(7)-O(15) bond length is 2.00 Å. The Li(7)-O(17) bond length is 2.07 Å. The Li(7)-O(23) bond length is 2.31 Å. The Li(7)-O(3) bond length is 2.16 Å. The Li(7)-O(7) bond length is 2.08 Å. In the eighth Li site, Li(8) is bonded to one O(16), one O(18), one O(24), one O(4), and one O(8) atom to form distorted corner-sharing LiO5 trigonal bipyramids. The Li(8)-O(16) bond length is 2.00 Å. The Li(8)-O(18) bond length is 2.07 Å. The Li(8)-O(24) bond length is 2.33 Å. The Li(8)-O(4) bond length is 2.16 Å. The Li(8)-O(8) bond length is 2.07 Å. There are four inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a distorted rectangular see-saw-like geometry to one O(12), one O(14), one O(18), and one O(24) atom. The Ni(1)-O(12) bond length is 2.00 Å. The Ni(1)-O(14) bond length is 1.99 Å. The Ni(1)-O(18) bond length is 2.04 Å. The Ni(1)-O(24) bond length is 2.04 Å. In the second Ni site, Ni(2) is bonded in a distorted rectangular see-saw-like geometry to one O(16), one O(20), one O(21), and one O(9) atom. The Ni(2)-O(16) bond length is 1.99 Å. The Ni(2)-O(20) bond length is 2.04 Å. The Ni(2)-O(21) bond length is 2.05 Å. The Ni(2)-O(9) bond length is 2.00 Å. In the third Ni site, Ni(3) is bonded in a distorted rectangular see-saw-like geometry to one O(11), one O(13), one O(17), and one O(23) atom. The Ni(3)-O(11) bond length is 1.99 Å. The Ni(3)-O(13) bond length is 2.00 Å. The Ni(3)-O(17) bond length is 2.05 Å. The Ni(3)-O(23) bond length is 2.05 Å. In the fourth Ni site, Ni(4) is bonded in a distorted rectangular see-saw-like geometry to one O(10), one O(15), one O(19), and one O(22) atom. The Ni(4)-O(10) bond length is 2.00 Å. The Ni(4)-O(15) bond length is 2.00 Å. The Ni(4)-O(19) bond length is 2.04 Å. The Ni(4)-O(22) bond length is 2.04 Å. There are eight inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(1), one O(17), and one O(9) atom. The C(1)-O(1) bond length is 1.29 Å. The C(1)-O(17) bond length is 1.31 Å. The C(1)-O(9) bond length is 1.30 Å. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(10), one O(18), and one O(2) atom. The C(2)-O(10) bond length is 1.30 Å. The C(2)-O(18) bond length is 1.31 Å. The C(2)-O(2) bond length is 1.29 Å. In the third C site, C(3) is bonded in a trigonal planar geometry to one O(11), one O(19), and one O(3) atom. The C(3)-O(11) bond length is 1.30 Å. The C(3)-O(19) bond length is 1.31 Å. The C(3)-O(3) bond length is 1.29 Å. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one O(12), one O(20), and one O(4) atom. The C(4)-O(12) bond length is 1.30 Å. The C(4)-O(20) bond length is 1.31 Å. The C(4)-O(4) bond length is 1.28 Å. In the fifth C site, C(5) is bonded in a trigonal planar geometry to one O(13), one O(21), and one O(5) atom. The C(5)-O(13) bond length is 1.30 Å. The C(5)-O(21) bond length is 1.31 Å. The C(5)-O(5) bond length is 1.29 Å. In the sixth C site, C(6) is bonded in a trigonal planar geometry to one O(14), one O(22), and one O(6) atom. The C(6)-O(14) bond length is 1.30 Å. The C(6)-O(22) bond length is 1.31 Å. The C(6)-O(6) bond length is 1.29 Å. In the seventh C site, C(7) is bonded in a trigonal planar geometry to one O(15), one O(23), and one O(7) atom. The C(7)-O(15) bond length is 1.30 Å. The C(7)-O(23) bond length is 1.31 Å. The C(7)-O(7) bond length is 1.29 Å. In the eighth C site, C(8) is bonded in a trigonal planar geometry to one O(16), one O(24), and one O(8) atom. The C(8)-O(16) bond length is 1.30 Å. The C(8)-O(24) bond length is 1.31 Å. The C(8)-O(8) bond length is 1.28 Å. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(1), one Li(5), and one C(1) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Li(2), one Li(6), and one C(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(3), one Li(7), 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 Li(8), and one C(4) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(1), one Li(5), and one C(5) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(2), one Li(6), and one C(6) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Li(3), one Li(7), and one C(7) atom. In the eighth O site, O(8) is bonded in a distorted trigonal non-coplanar geometry to one Li(4), one Li(8), and one C(8) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Li(1), one Ni(2), and one C(1) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Li(2), one Ni(4), and one C(2) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Li(3), one Ni(3), and one C(3) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Li(4), one Ni(1), and one C(4) atom. In the thirteenth O site, O(13) is bonded in a distorted trigonal planar geometry to one Li(5), one Ni(3), and one C(5) atom. In the fourteenth O site, O(14) is bonded in a distorted trigonal planar geometry to one Li(6), one Ni(1), and one C(6) atom. In the fifteenth O site, O(15) is bonded in a distorted trigonal planar geometry to one Li(7), one Ni(4), and one C(7) atom. In the sixteenth O site, O(16) is bonded in a distorted trigonal planar geometry to one Li(8), one Ni(2), and one C(8) atom. In the seventeenth O site, O(17) is bonded in a 4-coordinate geometry to one Li(1), one Li(7), one Ni(3), and one C(1) atom. In the eighteenth O site, O(18) is bonded in a 4-coordinate geometry to one Li(2), one Li(8), one Ni(1), and one C(2) atom. In the nineteenth O site, O(19) is bonded in a 4-coordinate geometry to one Li(3), one Li(6), one Ni(4), and one C(3) atom. In the twentieth O site, O(20) is bonded in a 4-coordinate geometry to one Li(4), one Li(5), one Ni(2), and one C(4) atom. In the twenty-first O site, O(21) is bonded in a 4-coordinate geometry to one Li(4), one Li(5), one Ni(2), and one C(5) atom. In the twenty-second O site, O(22) is bonded in a 4-coordinate geometry to one Li(3), one Li(6), one Ni(4), and one C(6) atom. In the twenty-third O site, O(23) is bonded in a 4-coordinate geometry to one Li(1), one Li(7), one Ni(3), and one C(7) atom. In the twenty-fourth O site, O(24) is bonded in a 4-coordinate geometry to one Li(2), one Li(8), one Ni(1), and one C(8) atom.