The crystal structure described by Li2Co(CO3)2 crystallizes in the monoclinic Pc space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one O(3), one O(5), and one O(6) atom to form distorted LiO4 trigonal pyramids that share corners with two equivalent Co(1)O6 octahedra and  an edgeedge with one Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-80°. In the second Li site, Li(2) is bonded in a trigonal planar geometry to one O(1), one O(3), and one O(4) atom. Co(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form distorted CoO6 octahedra that share corners with two equivalent Li(1)O4 trigonal pyramids 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(4) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(3), 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 3-coordinate geometry to one Li(2), one Co(1), and one C(1) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Li(1), one Co(1), and one C(1) atom. In the third O site, O(3) is bonded in a distorted tetrahedral geometry to one Li(1), one Li(2), one Co(1), and one C(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Li(2), one Co(1), and one C(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(1), one Co(1), and one C(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(1), one Co(1), and one C(2) atom. is represented by the CIF card [CIF]
data_Li2Co(CO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.175
_cell_length_b   6.490
_cell_length_c   7.929
_cell_angle_alpha   89.995
_cell_angle_beta   89.994
_cell_angle_gamma   66.521
_symmetry_Int_Tables_number   1
_cell_volume   244.286
_cell_formula_units_Z   2
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
  C  C0  1  0.855  0.870  0.742  1.0
  C  C1  1  0.855  0.370  0.756  1.0
  C  C2  1  0.154  0.632  0.230  1.0
  C  C3  1  0.154  0.132  0.269  1.0
  Co  Co4  1  0.989  0.516  0.495  1.0
  Co  Co5  1  0.989  0.016  0.003  1.0
  Li  Li6  1  0.593  0.764  0.080  1.0
  Li  Li7  1  0.592  0.265  0.418  1.0
  Li  Li8  1  0.345  0.433  0.911  1.0
  Li  Li9  1  0.344  0.934  0.587  1.0
  O  O10  1  0.093  0.893  0.750  1.0
  O  O11  1  0.094  0.392  0.748  1.0
  O  O12  1  0.714  0.896  0.882  1.0
  O  O13  1  0.715  0.395  0.617  1.0
  O  O14  1  0.249  0.677  0.088  1.0
  O  O15  1  0.249  0.178  0.410  1.0
  O  O16  1  0.757  0.832  0.601  1.0
  O  O17  1  0.757  0.333  0.898  1.0
  O  O18  1  0.304  0.590  0.366  1.0
  O  O19  1  0.304  0.089  0.132  1.0
  O  O20  1  0.908  0.623  0.238  1.0
  O  O21  1  0.908  0.124  0.260  1.0
[/CIF]
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The crystal structure described by Li2Co(CO3)2 crystallizes in the monoclinic Pc space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one O(3), one O(5), and one O(6) atom to form distorted LiO4 trigonal pyramids that share corners with two equivalent Co(1)O6 octahedra and  an edgeedge with one Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-80°. In the second Li site, Li(2) is bonded in a trigonal planar geometry to one O(1), one O(3), and one O(4) atom. Co(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form distorted CoO6 octahedra that share corners with two equivalent Li(1)O4 trigonal pyramids 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(4) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(3), 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 3-coordinate geometry to one Li(2), one Co(1), and one C(1) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Li(1), one Co(1), and one C(1) atom. In the third O site, O(3) is bonded in a distorted tetrahedral geometry to one Li(1), one Li(2), one Co(1), and one C(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Li(2), one Co(1), and one C(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(1), one Co(1), and one C(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Li(1), one Co(1), and one C(2) atom. is represented by the CIF card [CIF]
data_Li2Co(CO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.175
_cell_length_b   6.490
_cell_length_c   7.929
_cell_angle_alpha   89.995
_cell_angle_beta   89.994
_cell_angle_gamma   66.521
_symmetry_Int_Tables_number   1
_cell_volume   244.286
_cell_formula_units_Z   2
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
  C  C0  1  0.855  0.870  0.742  1.0
  C  C1  1  0.855  0.370  0.756  1.0
  C  C2  1  0.154  0.632  0.230  1.0
  C  C3  1  0.154  0.132  0.269  1.0
  Co  Co4  1  0.989  0.516  0.495  1.0
  Co  Co5  1  0.989  0.016  0.003  1.0
  Li  Li6  1  0.593  0.764  0.080  1.0
  Li  Li7  1  0.592  0.265  0.418  1.0
  Li  Li8  1  0.345  0.433  0.911  1.0
  Li  Li9  1  0.344  0.934  0.587  1.0
  O  O10  1  0.093  0.893  0.750  1.0
  O  O11  1  0.094  0.392  0.748  1.0
  O  O12  1  0.714  0.896  0.882  1.0
  O  O13  1  0.715  0.395  0.617  1.0
  O  O14  1  0.249  0.677  0.088  1.0
  O  O15  1  0.249  0.178  0.410  1.0
  O  O16  1  0.757  0.832  0.601  1.0
  O  O17  1  0.757  0.333  0.898  1.0
  O  O18  1  0.304  0.590  0.366  1.0
  O  O19  1  0.304  0.089  0.132  1.0
  O  O20  1  0.908  0.623  0.238  1.0
  O  O21  1  0.908  0.124  0.260  1.0
[/CIF]
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