The crystal structure described by CrCo3O8 is trigonal omega-derived structured and crystallizes in the trigonal R-3m space group. Cr(1) is bonded to six equivalent O(2) atoms to form CrO6 octahedra that share edges with six equivalent Co(1)O6 octahedra. Co(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form CoO6 octahedra that share edges with two equivalent Cr(1)O6 octahedra and edges with four equivalent Co(1)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to three equivalent Co(1) atoms. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Cr(1) and two equivalent Co(1) atoms. is represented by the CIF card [CIF]
data_CrCo3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.774
_cell_length_b   5.774
_cell_length_c   5.774
_cell_angle_alpha   58.980
_cell_angle_beta   58.980
_cell_angle_gamma   58.980
_symmetry_Int_Tables_number   1
_cell_volume   132.947
_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
  Cr  Cr0  1  0.500  0.500  0.500  1.0
  Co  Co1  1  0.500  0.000  0.500  1.0
  Co  Co2  1  0.000  0.500  0.500  1.0
  Co  Co3  1  0.500  0.500  0.000  1.0
  O  O4  1  0.266  0.266  0.266  1.0
  O  O5  1  0.261  0.261  0.702  1.0
  O  O6  1  0.702  0.261  0.261  1.0
  O  O7  1  0.261  0.702  0.261  1.0
  O  O8  1  0.739  0.298  0.739  1.0
  O  O9  1  0.298  0.739  0.739  1.0
  O  O10  1  0.739  0.739  0.298  1.0
  O  O11  1  0.734  0.734  0.734  1.0
[/CIF]
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The crystal structure described by CrCo3O8 is trigonal omega-derived structured and crystallizes in the trigonal R-3m space group. Cr(1) is bonded to six equivalent O(2) atoms to form CrO6 octahedra that share edges with six equivalent Co(1)O6 octahedra. Co(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form CoO6 octahedra that share edges with two equivalent Cr(1)O6 octahedra and edges with four equivalent Co(1)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to three equivalent Co(1) atoms. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Cr(1) and two equivalent Co(1) atoms. is represented by the CIF card [CIF]
data_CrCo3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.774
_cell_length_b   5.774
_cell_length_c   5.774
_cell_angle_alpha   58.980
_cell_angle_beta   58.980
_cell_angle_gamma   58.980
_symmetry_Int_Tables_number   1
_cell_volume   132.947
_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
  Cr  Cr0  1  0.500  0.500  0.500  1.0
  Co  Co1  1  0.500  0.000  0.500  1.0
  Co  Co2  1  0.000  0.500  0.500  1.0
  Co  Co3  1  0.500  0.500  0.000  1.0
  O  O4  1  0.266  0.266  0.266  1.0
  O  O5  1  0.261  0.261  0.702  1.0
  O  O6  1  0.702  0.261  0.261  1.0
  O  O7  1  0.261  0.702  0.261  1.0
  O  O8  1  0.739  0.298  0.739  1.0
  O  O9  1  0.298  0.739  0.739  1.0
  O  O10  1  0.739  0.739  0.298  1.0
  O  O11  1  0.734  0.734  0.734  1.0
[/CIF]
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