The material structure described by LiCo3CuO8 crystallizes in the monoclinic C2/m space group. Li(1) is bonded to two equivalent O(3) and four equivalent O(1) atoms to form LiO6 octahedra that share corners with six equivalent Co(2)O6 octahedra, edges with two equivalent Cu(1)O6 octahedra, and edges with four equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 12-13°. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form CoO6 octahedra that share edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with two equivalent Cu(1)O6 octahedra. In the second Co site, Co(2) is bonded to two equivalent O(3) and four equivalent O(1) atoms to form CoO6 octahedra that share corners with six equivalent Li(1)O6 octahedra, edges with two equivalent Cu(1)O6 octahedra, and edges with four equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 12-13°. Cu(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form CuO6 octahedra that share edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with four equivalent Co(1)O6 octahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(1), one Co(1), one Co(2), and one Cu(1) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to two equivalent Co(1) and one Cu(1) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(1), one Co(2), and two equivalent Co(1) atoms. is represented by the CIF file [CIF]
data_LiCo3CuO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.952
_cell_length_b   5.711
_cell_length_c   5.691
_cell_angle_alpha   59.883
_cell_angle_beta   60.815
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   138.227
_cell_formula_units_Z   1
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  0.500  0.000  0.000  1.0
  Co  Co1  1  0.000  0.000  0.500  1.0
  Co  Co2  1  0.000  0.500  0.000  1.0
  Co  Co3  1  0.000  0.500  0.500  1.0
  Cu  Cu4  1  0.000  0.000  0.000  1.0
  O  O5  1  0.197  0.234  0.042  1.0
  O  O6  1  0.192  0.234  0.532  1.0
  O  O7  1  0.197  0.724  0.042  1.0
  O  O8  1  0.198  0.738  0.524  1.0
  O  O9  1  0.802  0.262  0.476  1.0
  O  O10  1  0.803  0.276  0.958  1.0
  O  O11  1  0.808  0.766  0.468  1.0
  O  O12  1  0.803  0.766  0.958  1.0
[/CIF]
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The material structure described by LiCo3CuO8 crystallizes in the monoclinic C2/m space group. Li(1) is bonded to two equivalent O(3) and four equivalent O(1) atoms to form LiO6 octahedra that share corners with six equivalent Co(2)O6 octahedra, edges with two equivalent Cu(1)O6 octahedra, and edges with four equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 12-13°. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form CoO6 octahedra that share edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with two equivalent Cu(1)O6 octahedra. In the second Co site, Co(2) is bonded to two equivalent O(3) and four equivalent O(1) atoms to form CoO6 octahedra that share corners with six equivalent Li(1)O6 octahedra, edges with two equivalent Cu(1)O6 octahedra, and edges with four equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 12-13°. Cu(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form CuO6 octahedra that share edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with four equivalent Co(1)O6 octahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(1), one Co(1), one Co(2), and one Cu(1) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to two equivalent Co(1) and one Cu(1) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(1), one Co(2), and two equivalent Co(1) atoms. is represented by the CIF file [CIF]
data_LiCo3CuO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.952
_cell_length_b   5.711
_cell_length_c   5.691
_cell_angle_alpha   59.883
_cell_angle_beta   60.815
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   138.227
_cell_formula_units_Z   1
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  0.500  0.000  0.000  1.0
  Co  Co1  1  0.000  0.000  0.500  1.0
  Co  Co2  1  0.000  0.500  0.000  1.0
  Co  Co3  1  0.000  0.500  0.500  1.0
  Cu  Cu4  1  0.000  0.000  0.000  1.0
  O  O5  1  0.197  0.234  0.042  1.0
  O  O6  1  0.192  0.234  0.532  1.0
  O  O7  1  0.197  0.724  0.042  1.0
  O  O8  1  0.198  0.738  0.524  1.0
  O  O9  1  0.802  0.262  0.476  1.0
  O  O10  1  0.803  0.276  0.958  1.0
  O  O11  1  0.808  0.766  0.468  1.0
  O  O12  1  0.803  0.766  0.958  1.0
[/CIF]
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