The compound described by LiCuCO3 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded in a 5-coordinate geometry to one O(3), two equivalent O(1), and two equivalent O(2) atoms. Cu(1) is bonded in a 3-coordinate geometry to one O(1), one O(2), and one O(3) atom. C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Li(1), one Cu(1), and one C(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Li(1), one Cu(1), and one C(1) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Li(1), one Cu(1), and one C(1) atom. is represented by the CIF card [CIF]
data_LiCuCO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.925
_cell_length_b   5.265
_cell_length_c   7.277
_cell_angle_alpha   65.869
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   277.112
_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  0.241  0.143  0.247  1.0
  Li  Li1  1  0.741  0.857  0.253  1.0
  Li  Li2  1  0.259  0.143  0.747  1.0
  Li  Li3  1  0.759  0.857  0.753  1.0
  Cu  Cu4  1  0.484  0.704  0.552  1.0
  Cu  Cu5  1  0.984  0.296  0.948  1.0
  Cu  Cu6  1  0.016  0.704  0.052  1.0
  Cu  Cu7  1  0.516  0.296  0.448  1.0
  C  C8  1  0.140  0.752  0.675  1.0
  C  C9  1  0.640  0.248  0.825  1.0
  C  C10  1  0.360  0.752  0.175  1.0
  C  C11  1  0.860  0.248  0.325  1.0
  O  O12  1  0.258  0.908  0.559  1.0
  O  O13  1  0.970  0.129  0.252  1.0
  O  O14  1  0.136  0.486  0.722  1.0
  O  O15  1  0.636  0.514  0.778  1.0
  O  O16  1  0.758  0.092  0.941  1.0
  O  O17  1  0.530  0.129  0.752  1.0
  O  O18  1  0.470  0.871  0.248  1.0
  O  O19  1  0.242  0.908  0.059  1.0
  O  O20  1  0.364  0.486  0.222  1.0
  O  O21  1  0.864  0.514  0.278  1.0
  O  O22  1  0.030  0.871  0.748  1.0
  O  O23  1  0.742  0.092  0.441  1.0
[/CIF]
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The compound described by LiCuCO3 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded in a 5-coordinate geometry to one O(3), two equivalent O(1), and two equivalent O(2) atoms. Cu(1) is bonded in a 3-coordinate geometry to one O(1), one O(2), and one O(3) atom. C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Li(1), one Cu(1), and one C(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Li(1), one Cu(1), and one C(1) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Li(1), one Cu(1), and one C(1) atom. is represented by the CIF card [CIF]
data_LiCuCO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.925
_cell_length_b   5.265
_cell_length_c   7.277
_cell_angle_alpha   65.869
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   277.112
_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  0.241  0.143  0.247  1.0
  Li  Li1  1  0.741  0.857  0.253  1.0
  Li  Li2  1  0.259  0.143  0.747  1.0
  Li  Li3  1  0.759  0.857  0.753  1.0
  Cu  Cu4  1  0.484  0.704  0.552  1.0
  Cu  Cu5  1  0.984  0.296  0.948  1.0
  Cu  Cu6  1  0.016  0.704  0.052  1.0
  Cu  Cu7  1  0.516  0.296  0.448  1.0
  C  C8  1  0.140  0.752  0.675  1.0
  C  C9  1  0.640  0.248  0.825  1.0
  C  C10  1  0.360  0.752  0.175  1.0
  C  C11  1  0.860  0.248  0.325  1.0
  O  O12  1  0.258  0.908  0.559  1.0
  O  O13  1  0.970  0.129  0.252  1.0
  O  O14  1  0.136  0.486  0.722  1.0
  O  O15  1  0.636  0.514  0.778  1.0
  O  O16  1  0.758  0.092  0.941  1.0
  O  O17  1  0.530  0.129  0.752  1.0
  O  O18  1  0.470  0.871  0.248  1.0
  O  O19  1  0.242  0.908  0.059  1.0
  O  O20  1  0.364  0.486  0.222  1.0
  O  O21  1  0.864  0.514  0.278  1.0
  O  O22  1  0.030  0.871  0.748  1.0
  O  O23  1  0.742  0.092  0.441  1.0
[/CIF]
.