The crystal structure described by LiCoCO4 crystallizes in the orthorhombic Ccc2 space group. Li(1) is bonded to one O(2), one O(3), one O(4), and two equivalent O(1) atoms to form distorted LiO5 trigonal bipyramids that share corners with four equivalent Co(1)O4 tetrahedra and  an edgeedge with one Li(1)O5 trigonal bipyramid. Co(1) is bonded to one O(2), one O(3), and two equivalent O(4) atoms to form CoO4 tetrahedra that share corners with two equivalent Co(1)O4 tetrahedra and corners with four equivalent Li(1)O5 trigonal bipyramids. C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Li(1) and one C(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar 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 trigonal planar geometry to one Li(1), 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) and two equivalent Co(1) atoms. is represented by the CIF file [CIF]
data_LiCoCO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.343
_cell_length_b   8.343
_cell_length_c   5.794
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.951
_symmetry_Int_Tables_number   1
_cell_volume   345.858
_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  0.208  0.035  0.500  1.0
  Li  Li1  1  0.035  0.208  1.000  1.0
  Li  Li2  1  0.965  0.792  1.000  1.0
  Li  Li3  1  0.792  0.965  0.500  1.0
  Co  Co4  1  0.696  0.276  0.767  1.0
  Co  Co5  1  0.724  0.304  0.267  1.0
  Co  Co6  1  0.276  0.696  0.267  1.0
  Co  Co7  1  0.304  0.724  0.767  1.0
  C  C8  1  0.358  0.155  0.025  1.0
  C  C9  1  0.845  0.642  0.525  1.0
  C  C10  1  0.155  0.358  0.525  1.0
  C  C11  1  0.642  0.845  0.025  1.0
  O  O12  1  0.182  0.080  0.038  1.0
  O  O13  1  0.436  0.177  0.821  1.0
  O  O14  1  0.458  0.207  0.214  1.0
  O  O15  1  0.717  0.162  0.502  1.0
  O  O16  1  0.838  0.283  0.002  1.0
  O  O17  1  0.080  0.182  0.538  1.0
  O  O18  1  0.793  0.542  0.714  1.0
  O  O19  1  0.823  0.564  0.321  1.0
  O  O20  1  0.177  0.436  0.321  1.0
  O  O21  1  0.207  0.458  0.714  1.0
  O  O22  1  0.920  0.818  0.538  1.0
  O  O23  1  0.162  0.717  0.002  1.0
  O  O24  1  0.283  0.838  0.502  1.0
  O  O25  1  0.542  0.793  0.214  1.0
  O  O26  1  0.564  0.823  0.821  1.0
  O  O27  1  0.818  0.920  0.038  1.0
[/CIF]
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The crystal structure described by LiCoCO4 crystallizes in the orthorhombic Ccc2 space group. Li(1) is bonded to one O(2), one O(3), one O(4), and two equivalent O(1) atoms to form distorted LiO5 trigonal bipyramids that share corners with four equivalent Co(1)O4 tetrahedra and  an edgeedge with one Li(1)O5 trigonal bipyramid. Co(1) is bonded to one O(2), one O(3), and two equivalent O(4) atoms to form CoO4 tetrahedra that share corners with two equivalent Co(1)O4 tetrahedra and corners with four equivalent Li(1)O5 trigonal bipyramids. C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Li(1) and one C(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar 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 trigonal planar geometry to one Li(1), 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) and two equivalent Co(1) atoms. is represented by the CIF file [CIF]
data_LiCoCO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.343
_cell_length_b   8.343
_cell_length_c   5.794
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.951
_symmetry_Int_Tables_number   1
_cell_volume   345.858
_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  0.208  0.035  0.500  1.0
  Li  Li1  1  0.035  0.208  1.000  1.0
  Li  Li2  1  0.965  0.792  1.000  1.0
  Li  Li3  1  0.792  0.965  0.500  1.0
  Co  Co4  1  0.696  0.276  0.767  1.0
  Co  Co5  1  0.724  0.304  0.267  1.0
  Co  Co6  1  0.276  0.696  0.267  1.0
  Co  Co7  1  0.304  0.724  0.767  1.0
  C  C8  1  0.358  0.155  0.025  1.0
  C  C9  1  0.845  0.642  0.525  1.0
  C  C10  1  0.155  0.358  0.525  1.0
  C  C11  1  0.642  0.845  0.025  1.0
  O  O12  1  0.182  0.080  0.038  1.0
  O  O13  1  0.436  0.177  0.821  1.0
  O  O14  1  0.458  0.207  0.214  1.0
  O  O15  1  0.717  0.162  0.502  1.0
  O  O16  1  0.838  0.283  0.002  1.0
  O  O17  1  0.080  0.182  0.538  1.0
  O  O18  1  0.793  0.542  0.714  1.0
  O  O19  1  0.823  0.564  0.321  1.0
  O  O20  1  0.177  0.436  0.321  1.0
  O  O21  1  0.207  0.458  0.714  1.0
  O  O22  1  0.920  0.818  0.538  1.0
  O  O23  1  0.162  0.717  0.002  1.0
  O  O24  1  0.283  0.838  0.502  1.0
  O  O25  1  0.542  0.793  0.214  1.0
  O  O26  1  0.564  0.823  0.821  1.0
  O  O27  1  0.818  0.920  0.038  1.0
[/CIF]
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