The crystal structure described by LiCo(CO3)2 crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(16), one O(17), one O(23), and one O(8) atom to form LiO4 tetrahedra that share  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra, and corners with two equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-75°. In the second Li site, Li(2) is bonded to one O(15), one O(18), one O(2), one O(24), and one O(7) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Co(4)O6 octahedra, corners with two equivalent Co(3)O6 octahedra, and  an edgeedge with one Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-69°. In the third Li site, Li(3) is bonded in a 5-coordinate geometry to one O(13), one O(19), one O(21), one O(3), and one O(5) atom. In the fourth Li site, Li(4) is bonded to one O(14), one O(20), one O(22), and one O(6) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Co(3)O6 octahedra,  a cornercorner with one Co(4)O6 octahedra, and corners with two equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 32-74°. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(11), one O(16), one O(18), one O(2), one O(21), and one O(8) atom to form distorted CoO6 octahedra that share corners with two equivalent Li(1)O4 tetrahedra and  an edgeedge with one Li(2)O5 trigonal bipyramid. In the second Co site, Co(2) is bonded to one O(10), one O(14), one O(19), one O(23), one O(3), and one O(6) atom to form distorted CoO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra and corners with two equivalent Li(4)O4 tetrahedra. In the third Co site, Co(3) is bonded to one O(1), one O(12), one O(15), one O(17), one O(22), and one O(7) atom to form CoO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, and corners with two equivalent Li(2)O5 trigonal bipyramids. In the fourth Co site, Co(4) is bonded to one O(13), one O(20), one O(24), one O(4), one O(5), and one O(9) atom to form distorted CoO6 octahedra that share  a cornercorner with one Li(4)O4 tetrahedra and  a cornercorner with one Li(2)O5 trigonal bipyramid. 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(12), and one O(5) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(11), one O(2), and one O(6) atom. In the third C site, C(3) is bonded in a trigonal planar geometry to one O(10), 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(4), one O(8), and one O(9) atom. In the fifth C site, C(5) is bonded in a trigonal planar geometry to one O(13), one O(17), and one O(24) atom. In the sixth C site, C(6) is bonded in a trigonal planar geometry to one O(14), one O(18), and one O(23) atom. In the seventh C site, C(7) is bonded in a trigonal planar geometry to one O(15), one O(19), and one O(22) atom. In the eighth C site, C(8) is bonded in a trigonal planar geometry to one O(16), one O(20), and one O(21) atom. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in an L-shaped geometry to one Co(3) and one C(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(2), one Co(1), and one C(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(3), one Co(2), and one C(3) atom. In the fourth O site, O(4) is bonded in a distorted L-shaped geometry to one Co(4) and one C(4) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(3), one Co(4), and one C(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Li(4), one Co(2), and one C(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Li(2), one Co(3), and one C(3) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Li(1), one Co(1), and one C(4) atom. In the ninth O site, O(9) is bonded in an L-shaped geometry to one Co(4) and one C(4) atom. In the tenth O site, O(10) is bonded in an L-shaped geometry to one Co(2) and one C(3) atom. In the eleventh O site, O(11) is bonded in an L-shaped geometry to one Co(1) and one C(2) atom. In the twelfth O site, O(12) is bonded in an L-shaped geometry to one Co(3) and one C(1) atom. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one Li(3), one Co(4), and one C(5) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one Li(4), one Co(2), and one C(6) atom. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one Li(2), one Co(3), and one C(7) atom. In the sixteenth O site, O(16) is bonded in a 3-coordinate geometry to one Li(1), one Co(1), and one C(8) atom. In the seventeenth O site, O(17) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Co(3), and one C(5) atom. In the eighteenth O site, O(18) is bonded in a distorted trigonal planar geometry to one Li(2), one Co(1), and one C(6) atom. In the nineteenth O site, O(19) is bonded in a 3-coordinate geometry to one Li(3), one Co(2), and one C(7) atom. In the twentieth O site, O(20) is bonded in a distorted trigonal planar geometry to one Li(4), one Co(4), and one C(8) atom. In the twenty-first O site, O(21) is bonded in a 3-coordinate geometry to one Li(3), one Co(1), and one C(8) atom. In the twenty-second O site, O(22) is bonded in a 3-coordinate geometry to one Li(4), one Co(3), and one C(7) atom. In the twenty-third O site, O(23) is bonded in a 3-coordinate geometry to one Li(1), one Co(2), and one C(6) atom. In the twenty-fourth O site, O(24) is bonded in a 3-coordinate geometry to one Li(2), one Co(4), and one C(5) atom. is represented by the CIF card [CIF]
data_LiCo(CO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.494
_cell_length_b   9.354
_cell_length_c   9.353
_cell_angle_alpha   113.095
_cell_angle_beta   102.801
_cell_angle_gamma   103.207
_symmetry_Int_Tables_number   1
_cell_volume   477.045
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Li  Li0  1  0.634  0.208  0.154  1.0
  Li  Li1  1  0.675  0.723  0.659  1.0
  Li  Li2  1  0.822  0.587  0.032  1.0
  Li  Li3  1  0.853  0.097  0.535  1.0
  Co  Co4  1  0.014  0.010  0.011  1.0
  Co  Co5  1  0.486  0.240  0.743  1.0
  Co  Co6  1  0.022  0.506  0.510  1.0
  Co  Co7  1  0.485  0.742  0.246  1.0
  C  C8  1  0.133  0.573  0.318  1.0
  C  C9  1  0.108  0.070  0.800  1.0
  C  C10  1  0.398  0.443  0.681  1.0
  C  C11  1  0.364  0.939  0.178  1.0
  C  C12  1  0.637  0.548  0.309  1.0
  C  C13  1  0.626  0.053  0.811  1.0
  C  C14  1  0.888  0.446  0.704  1.0
  C  C15  1  0.849  0.934  0.194  1.0
  O  O16  1  0.092  0.425  0.306  1.0
  O  O17  1  0.045  0.919  0.782  1.0
  O  O18  1  0.436  0.450  0.828  1.0
  O  O19  1  0.419  0.963  0.329  1.0
  O  O20  1  0.175  0.607  0.205  1.0
  O  O21  1  0.147  0.102  0.685  1.0
  O  O22  1  0.366  0.557  0.649  1.0
  O  O23  1  0.321  0.052  0.139  1.0
  O  O24  1  0.364  0.802  0.067  1.0
  O  O25  1  0.404  0.305  0.573  1.0
  O  O26  1  0.121  0.184  0.941  1.0
  O  O27  1  0.117  0.680  0.451  1.0
  O  O28  1  0.610  0.553  0.168  1.0
  O  O29  1  0.595  0.054  0.667  1.0
  O  O30  1  0.921  0.587  0.698  1.0
  O  O31  1  0.874  0.075  0.193  1.0
  O  O32  1  0.689  0.433  0.332  1.0
  O  O33  1  0.681  0.944  0.841  1.0
  O  O34  1  0.834  0.421  0.816  1.0
  O  O35  1  0.793  0.908  0.309  1.0
  O  O36  1  0.889  0.823  0.078  1.0
  O  O37  1  0.920  0.335  0.580  1.0
  O  O38  1  0.590  0.177  0.918  1.0
  O  O39  1  0.603  0.668  0.421  1.0
[/CIF]
.
The crystal structure described by LiCo(CO3)2 crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(16), one O(17), one O(23), and one O(8) atom to form LiO4 tetrahedra that share  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra, and corners with two equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-75°. In the second Li site, Li(2) is bonded to one O(15), one O(18), one O(2), one O(24), and one O(7) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Co(4)O6 octahedra, corners with two equivalent Co(3)O6 octahedra, and  an edgeedge with one Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-69°. In the third Li site, Li(3) is bonded in a 5-coordinate geometry to one O(13), one O(19), one O(21), one O(3), and one O(5) atom. In the fourth Li site, Li(4) is bonded to one O(14), one O(20), one O(22), and one O(6) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Co(3)O6 octahedra,  a cornercorner with one Co(4)O6 octahedra, and corners with two equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 32-74°. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(11), one O(16), one O(18), one O(2), one O(21), and one O(8) atom to form distorted CoO6 octahedra that share corners with two equivalent Li(1)O4 tetrahedra and  an edgeedge with one Li(2)O5 trigonal bipyramid. In the second Co site, Co(2) is bonded to one O(10), one O(14), one O(19), one O(23), one O(3), and one O(6) atom to form distorted CoO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra and corners with two equivalent Li(4)O4 tetrahedra. In the third Co site, Co(3) is bonded to one O(1), one O(12), one O(15), one O(17), one O(22), and one O(7) atom to form CoO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, and corners with two equivalent Li(2)O5 trigonal bipyramids. In the fourth Co site, Co(4) is bonded to one O(13), one O(20), one O(24), one O(4), one O(5), and one O(9) atom to form distorted CoO6 octahedra that share  a cornercorner with one Li(4)O4 tetrahedra and  a cornercorner with one Li(2)O5 trigonal bipyramid. 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(12), and one O(5) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(11), one O(2), and one O(6) atom. In the third C site, C(3) is bonded in a trigonal planar geometry to one O(10), 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(4), one O(8), and one O(9) atom. In the fifth C site, C(5) is bonded in a trigonal planar geometry to one O(13), one O(17), and one O(24) atom. In the sixth C site, C(6) is bonded in a trigonal planar geometry to one O(14), one O(18), and one O(23) atom. In the seventh C site, C(7) is bonded in a trigonal planar geometry to one O(15), one O(19), and one O(22) atom. In the eighth C site, C(8) is bonded in a trigonal planar geometry to one O(16), one O(20), and one O(21) atom. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in an L-shaped geometry to one Co(3) and one C(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(2), one Co(1), and one C(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(3), one Co(2), and one C(3) atom. In the fourth O site, O(4) is bonded in a distorted L-shaped geometry to one Co(4) and one C(4) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Li(3), one Co(4), and one C(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Li(4), one Co(2), and one C(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Li(2), one Co(3), and one C(3) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Li(1), one Co(1), and one C(4) atom. In the ninth O site, O(9) is bonded in an L-shaped geometry to one Co(4) and one C(4) atom. In the tenth O site, O(10) is bonded in an L-shaped geometry to one Co(2) and one C(3) atom. In the eleventh O site, O(11) is bonded in an L-shaped geometry to one Co(1) and one C(2) atom. In the twelfth O site, O(12) is bonded in an L-shaped geometry to one Co(3) and one C(1) atom. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one Li(3), one Co(4), and one C(5) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one Li(4), one Co(2), and one C(6) atom. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one Li(2), one Co(3), and one C(7) atom. In the sixteenth O site, O(16) is bonded in a 3-coordinate geometry to one Li(1), one Co(1), and one C(8) atom. In the seventeenth O site, O(17) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Co(3), and one C(5) atom. In the eighteenth O site, O(18) is bonded in a distorted trigonal planar geometry to one Li(2), one Co(1), and one C(6) atom. In the nineteenth O site, O(19) is bonded in a 3-coordinate geometry to one Li(3), one Co(2), and one C(7) atom. In the twentieth O site, O(20) is bonded in a distorted trigonal planar geometry to one Li(4), one Co(4), and one C(8) atom. In the twenty-first O site, O(21) is bonded in a 3-coordinate geometry to one Li(3), one Co(1), and one C(8) atom. In the twenty-second O site, O(22) is bonded in a 3-coordinate geometry to one Li(4), one Co(3), and one C(7) atom. In the twenty-third O site, O(23) is bonded in a 3-coordinate geometry to one Li(1), one Co(2), and one C(6) atom. In the twenty-fourth O site, O(24) is bonded in a 3-coordinate geometry to one Li(2), one Co(4), and one C(5) atom. is represented by the CIF card [CIF]
data_LiCo(CO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.494
_cell_length_b   9.354
_cell_length_c   9.353
_cell_angle_alpha   113.095
_cell_angle_beta   102.801
_cell_angle_gamma   103.207
_symmetry_Int_Tables_number   1
_cell_volume   477.045
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Li  Li0  1  0.634  0.208  0.154  1.0
  Li  Li1  1  0.675  0.723  0.659  1.0
  Li  Li2  1  0.822  0.587  0.032  1.0
  Li  Li3  1  0.853  0.097  0.535  1.0
  Co  Co4  1  0.014  0.010  0.011  1.0
  Co  Co5  1  0.486  0.240  0.743  1.0
  Co  Co6  1  0.022  0.506  0.510  1.0
  Co  Co7  1  0.485  0.742  0.246  1.0
  C  C8  1  0.133  0.573  0.318  1.0
  C  C9  1  0.108  0.070  0.800  1.0
  C  C10  1  0.398  0.443  0.681  1.0
  C  C11  1  0.364  0.939  0.178  1.0
  C  C12  1  0.637  0.548  0.309  1.0
  C  C13  1  0.626  0.053  0.811  1.0
  C  C14  1  0.888  0.446  0.704  1.0
  C  C15  1  0.849  0.934  0.194  1.0
  O  O16  1  0.092  0.425  0.306  1.0
  O  O17  1  0.045  0.919  0.782  1.0
  O  O18  1  0.436  0.450  0.828  1.0
  O  O19  1  0.419  0.963  0.329  1.0
  O  O20  1  0.175  0.607  0.205  1.0
  O  O21  1  0.147  0.102  0.685  1.0
  O  O22  1  0.366  0.557  0.649  1.0
  O  O23  1  0.321  0.052  0.139  1.0
  O  O24  1  0.364  0.802  0.067  1.0
  O  O25  1  0.404  0.305  0.573  1.0
  O  O26  1  0.121  0.184  0.941  1.0
  O  O27  1  0.117  0.680  0.451  1.0
  O  O28  1  0.610  0.553  0.168  1.0
  O  O29  1  0.595  0.054  0.667  1.0
  O  O30  1  0.921  0.587  0.698  1.0
  O  O31  1  0.874  0.075  0.193  1.0
  O  O32  1  0.689  0.433  0.332  1.0
  O  O33  1  0.681  0.944  0.841  1.0
  O  O34  1  0.834  0.421  0.816  1.0
  O  O35  1  0.793  0.908  0.309  1.0
  O  O36  1  0.889  0.823  0.078  1.0
  O  O37  1  0.920  0.335  0.580  1.0
  O  O38  1  0.590  0.177  0.918  1.0
  O  O39  1  0.603  0.668  0.421  1.0
[/CIF]
.