The compound described by LiCo(CO3)2 is Calcite-derived structured and crystallizes in the triclinic P-1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(11), one O(12), one O(4), one O(7), and one O(8) atom to form LiO6 octahedra that share corners with three equivalent Co(1)O6 octahedra and corners with three equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 58-59°. In the second Li site, Li(2) is bonded to one O(10), one O(2), one O(3), one O(5), one O(6), and one O(9) atom to form LiO6 octahedra that share corners with three equivalent Co(1)O6 octahedra and corners with three equivalent Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 58-59°. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(11), one O(3), one O(5), one O(7), and one O(9) atom to form CoO6 octahedra that share corners with three equivalent Li(1)O6 octahedra and corners with three equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 58-59°. In the second Co site, Co(2) is bonded to two equivalent O(12), two equivalent O(4), and two equivalent O(8) atoms to form CoO6 octahedra that share corners with six equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 58-59°. In the third Co site, Co(3) is bonded to two equivalent O(10), two equivalent O(2), and two equivalent O(6) atoms to form CoO6 octahedra that share corners with six equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles are 59°. There are three inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(3), one O(5), 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(2), and one O(6) atom. In the third C site, C(3,4) is bonded in a trigonal planar geometry to one O(1), one O(11), and one O(7) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Li(1); one Co(1); and one C(3,4) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Li(2), one Co(3), and one C(2) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Li(2), one Co(1), and one C(1) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Li(1); one Co(2); and one C(3,4) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Li(2), one Co(1), and one C(1) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Li(2), one Co(3), and one C(2) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Li(1); one Co(1); and one C(3,4) atom. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Li(1); one Co(2); and one C(3,4) atom. In the ninth O site, O(9) is bonded in a trigonal planar geometry to one Li(2), one Co(1), and one C(1) atom. In the tenth O site, O(10) is bonded in a trigonal planar geometry to one Li(2), one Co(3), and one C(2) atom. In the eleventh O site, O(11) is bonded in a trigonal planar geometry to one Li(1); one Co(1); and one C(3,4) atom. In the twelfth O site, O(12) is bonded in a trigonal planar geometry to one Li(1); one Co(2); and one C(3,4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiCo(CO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.681
_cell_length_b   4.666
_cell_length_c   20.631
_cell_angle_alpha   96.417
_cell_angle_beta   83.665
_cell_angle_gamma   120.177
_symmetry_Int_Tables_number   1
_cell_volume   386.350
_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  1.000  1.000  0.000  1.0
  Li  Li1  1  0.249  0.751  0.252  1.0
  Li  Li2  1  0.501  0.499  0.498  1.0
  Li  Li3  1  0.750  0.250  0.750  1.0
  Co  Co4  1  0.125  0.875  0.624  1.0
  Co  Co5  1  0.375  0.625  0.875  1.0
  Co  Co6  1  0.625  0.375  0.126  1.0
  Co  Co7  1  0.875  0.125  0.375  1.0
  C  C8  1  0.939  0.061  0.184  1.0
  C  C9  1  0.188  0.812  0.432  1.0
  C  C10  1  0.439  0.561  0.683  1.0
  C  C11  1  0.689  0.311  0.933  1.0
  C  C12  1  0.311  0.689  0.067  1.0
  C  C13  1  0.562  0.438  0.318  1.0
  C  C14  1  0.811  0.188  0.566  1.0
  C  C15  1  0.061  0.939  0.817  1.0
  O  O16  1  0.319  0.970  0.067  1.0
  O  O17  1  0.581  0.727  0.318  1.0
  O  O18  1  0.819  0.469  0.565  1.0
  O  O19  1  0.069  0.220  0.816  1.0
  O  O20  1  0.219  0.335  0.185  1.0
  O  O21  1  0.471  0.081  0.433  1.0
  O  O22  1  0.720  0.834  0.683  1.0
  O  O23  1  0.969  0.585  0.934  1.0
  O  O24  1  0.666  0.068  0.185  1.0
  O  O25  1  0.918  0.826  0.433  1.0
  O  O26  1  0.167  0.568  0.683  1.0
  O  O27  1  0.416  0.318  0.934  1.0
  O  O28  1  0.583  0.682  0.067  1.0
  O  O29  1  0.832  0.424  0.317  1.0
  O  O30  1  0.084  0.182  0.565  1.0
  O  O31  1  0.334  0.932  0.816  1.0
  O  O32  1  0.030  0.416  0.067  1.0
  O  O33  1  0.279  0.169  0.317  1.0
  O  O34  1  0.531  0.915  0.565  1.0
  O  O35  1  0.781  0.666  0.816  1.0
  O  O36  1  0.931  0.781  0.185  1.0
  O  O37  1  0.169  0.523  0.432  1.0
  O  O38  1  0.431  0.280  0.683  1.0
  O  O39  1  0.681  0.030  0.934  1.0
[/CIF]
.
The compound described by LiCo(CO3)2 is Calcite-derived structured and crystallizes in the triclinic P-1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(11), one O(12), one O(4), one O(7), and one O(8) atom to form LiO6 octahedra that share corners with three equivalent Co(1)O6 octahedra and corners with three equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 58-59°. In the second Li site, Li(2) is bonded to one O(10), one O(2), one O(3), one O(5), one O(6), and one O(9) atom to form LiO6 octahedra that share corners with three equivalent Co(1)O6 octahedra and corners with three equivalent Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 58-59°. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(11), one O(3), one O(5), one O(7), and one O(9) atom to form CoO6 octahedra that share corners with three equivalent Li(1)O6 octahedra and corners with three equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 58-59°. In the second Co site, Co(2) is bonded to two equivalent O(12), two equivalent O(4), and two equivalent O(8) atoms to form CoO6 octahedra that share corners with six equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 58-59°. In the third Co site, Co(3) is bonded to two equivalent O(10), two equivalent O(2), and two equivalent O(6) atoms to form CoO6 octahedra that share corners with six equivalent Li(2)O6 octahedra. The corner-sharing octahedral tilt angles are 59°. There are three inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(3), one O(5), 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(2), and one O(6) atom. In the third C site, C(3,4) is bonded in a trigonal planar geometry to one O(1), one O(11), and one O(7) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Li(1); one Co(1); and one C(3,4) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Li(2), one Co(3), and one C(2) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Li(2), one Co(1), and one C(1) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Li(1); one Co(2); and one C(3,4) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Li(2), one Co(1), and one C(1) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Li(2), one Co(3), and one C(2) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Li(1); one Co(1); and one C(3,4) atom. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Li(1); one Co(2); and one C(3,4) atom. In the ninth O site, O(9) is bonded in a trigonal planar geometry to one Li(2), one Co(1), and one C(1) atom. In the tenth O site, O(10) is bonded in a trigonal planar geometry to one Li(2), one Co(3), and one C(2) atom. In the eleventh O site, O(11) is bonded in a trigonal planar geometry to one Li(1); one Co(1); and one C(3,4) atom. In the twelfth O site, O(12) is bonded in a trigonal planar geometry to one Li(1); one Co(2); and one C(3,4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiCo(CO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.681
_cell_length_b   4.666
_cell_length_c   20.631
_cell_angle_alpha   96.417
_cell_angle_beta   83.665
_cell_angle_gamma   120.177
_symmetry_Int_Tables_number   1
_cell_volume   386.350
_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  1.000  1.000  0.000  1.0
  Li  Li1  1  0.249  0.751  0.252  1.0
  Li  Li2  1  0.501  0.499  0.498  1.0
  Li  Li3  1  0.750  0.250  0.750  1.0
  Co  Co4  1  0.125  0.875  0.624  1.0
  Co  Co5  1  0.375  0.625  0.875  1.0
  Co  Co6  1  0.625  0.375  0.126  1.0
  Co  Co7  1  0.875  0.125  0.375  1.0
  C  C8  1  0.939  0.061  0.184  1.0
  C  C9  1  0.188  0.812  0.432  1.0
  C  C10  1  0.439  0.561  0.683  1.0
  C  C11  1  0.689  0.311  0.933  1.0
  C  C12  1  0.311  0.689  0.067  1.0
  C  C13  1  0.562  0.438  0.318  1.0
  C  C14  1  0.811  0.188  0.566  1.0
  C  C15  1  0.061  0.939  0.817  1.0
  O  O16  1  0.319  0.970  0.067  1.0
  O  O17  1  0.581  0.727  0.318  1.0
  O  O18  1  0.819  0.469  0.565  1.0
  O  O19  1  0.069  0.220  0.816  1.0
  O  O20  1  0.219  0.335  0.185  1.0
  O  O21  1  0.471  0.081  0.433  1.0
  O  O22  1  0.720  0.834  0.683  1.0
  O  O23  1  0.969  0.585  0.934  1.0
  O  O24  1  0.666  0.068  0.185  1.0
  O  O25  1  0.918  0.826  0.433  1.0
  O  O26  1  0.167  0.568  0.683  1.0
  O  O27  1  0.416  0.318  0.934  1.0
  O  O28  1  0.583  0.682  0.067  1.0
  O  O29  1  0.832  0.424  0.317  1.0
  O  O30  1  0.084  0.182  0.565  1.0
  O  O31  1  0.334  0.932  0.816  1.0
  O  O32  1  0.030  0.416  0.067  1.0
  O  O33  1  0.279  0.169  0.317  1.0
  O  O34  1  0.531  0.915  0.565  1.0
  O  O35  1  0.781  0.666  0.816  1.0
  O  O36  1  0.931  0.781  0.185  1.0
  O  O37  1  0.169  0.523  0.432  1.0
  O  O38  1  0.431  0.280  0.683  1.0
  O  O39  1  0.681  0.030  0.934  1.0
[/CIF]
.