The structure described by Li2CoCuO4 is alpha Po-derived structured and crystallizes in the orthorhombic Imma space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form LiO6 octahedra that share corners with six equivalent Co(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, and edges with four equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-6°. In the second Li site, Li(2) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form LiO6 octahedra that share corners with six equivalent Cu(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Cu(1)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with four equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-8°. Co(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form CoO6 octahedra that share corners with six equivalent Li(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, and edges with four equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-6°. Cu(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form CuO6 octahedra that share corners with six equivalent Li(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Cu(1)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with four equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-8°. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), two equivalent Li(1), two equivalent Co(1), and one Cu(1) atom to form OLi3Co2Cu octahedra that share corners with six equivalent O(1)Li3Co2Cu octahedra, edges with four equivalent O(1)Li3Co2Cu octahedra, and edges with eight equivalent O(2)Li3CoCu2 octahedra. The corner-sharing octahedra are not tilted. In the second O site, O(2) is bonded to one Li(1), two equivalent Li(2), one Co(1), and two equivalent Cu(1) atoms to form OLi3CoCu2 octahedra that share corners with six equivalent O(2)Li3CoCu2 octahedra, edges with four equivalent O(2)Li3CoCu2 octahedra, and edges with eight equivalent O(1)Li3Co2Cu octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF file [CIF]
data_Li2CoCuO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.787
_cell_length_b   5.787
_cell_length_c   5.787
_cell_angle_alpha   120.732
_cell_angle_beta   119.668
_cell_angle_gamma   89.657
_symmetry_Int_Tables_number   1
_cell_volume   136.579
_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
  Li  Li0  1  0.000  0.000  0.500  1.0
  Li  Li1  1  0.000  0.500  0.500  1.0
  Li  Li2  1  0.000  0.500  0.000  1.0
  Li  Li3  1  0.500  0.500  0.000  1.0
  Co  Co4  1  0.500  0.000  0.000  1.0
  Co  Co5  1  0.500  0.500  0.500  1.0
  Cu  Cu6  1  0.500  0.000  0.500  1.0
  Cu  Cu7  1  0.000  0.000  0.000  1.0
  O  O8  1  0.269  0.246  0.023  1.0
  O  O9  1  0.264  0.255  0.491  1.0
  O  O10  1  0.723  0.246  0.477  1.0
  O  O11  1  0.264  0.773  0.009  1.0
  O  O12  1  0.736  0.227  0.991  1.0
  O  O13  1  0.277  0.754  0.523  1.0
  O  O14  1  0.736  0.745  0.509  1.0
  O  O15  1  0.731  0.754  0.977  1.0
[/CIF]
.
The structure described by Li2CoCuO4 is alpha Po-derived structured and crystallizes in the orthorhombic Imma space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form LiO6 octahedra that share corners with six equivalent Co(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, and edges with four equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-6°. In the second Li site, Li(2) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form LiO6 octahedra that share corners with six equivalent Cu(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Cu(1)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with four equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-8°. Co(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form CoO6 octahedra that share corners with six equivalent Li(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, and edges with four equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-6°. Cu(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form CuO6 octahedra that share corners with six equivalent Li(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Cu(1)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with four equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-8°. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), two equivalent Li(1), two equivalent Co(1), and one Cu(1) atom to form OLi3Co2Cu octahedra that share corners with six equivalent O(1)Li3Co2Cu octahedra, edges with four equivalent O(1)Li3Co2Cu octahedra, and edges with eight equivalent O(2)Li3CoCu2 octahedra. The corner-sharing octahedra are not tilted. In the second O site, O(2) is bonded to one Li(1), two equivalent Li(2), one Co(1), and two equivalent Cu(1) atoms to form OLi3CoCu2 octahedra that share corners with six equivalent O(2)Li3CoCu2 octahedra, edges with four equivalent O(2)Li3CoCu2 octahedra, and edges with eight equivalent O(1)Li3Co2Cu octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF file [CIF]
data_Li2CoCuO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.787
_cell_length_b   5.787
_cell_length_c   5.787
_cell_angle_alpha   120.732
_cell_angle_beta   119.668
_cell_angle_gamma   89.657
_symmetry_Int_Tables_number   1
_cell_volume   136.579
_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
  Li  Li0  1  0.000  0.000  0.500  1.0
  Li  Li1  1  0.000  0.500  0.500  1.0
  Li  Li2  1  0.000  0.500  0.000  1.0
  Li  Li3  1  0.500  0.500  0.000  1.0
  Co  Co4  1  0.500  0.000  0.000  1.0
  Co  Co5  1  0.500  0.500  0.500  1.0
  Cu  Cu6  1  0.500  0.000  0.500  1.0
  Cu  Cu7  1  0.000  0.000  0.000  1.0
  O  O8  1  0.269  0.246  0.023  1.0
  O  O9  1  0.264  0.255  0.491  1.0
  O  O10  1  0.723  0.246  0.477  1.0
  O  O11  1  0.264  0.773  0.009  1.0
  O  O12  1  0.736  0.227  0.991  1.0
  O  O13  1  0.277  0.754  0.523  1.0
  O  O14  1  0.736  0.745  0.509  1.0
  O  O15  1  0.731  0.754  0.977  1.0
[/CIF]
.