The crystal structure described by Mn3CoO8 is trigonal omega-derived structured and crystallizes in the trigonal R-3m space group. Mn(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form MnO6 octahedra that share edges with two equivalent Co(1)O6 octahedra and edges with four equivalent Mn(1)O6 octahedra. Co(1) is bonded to six equivalent O(2) atoms to form CoO6 octahedra that share edges with six equivalent Mn(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 Mn(1) atoms. In the second O site, O(2) is bonded in a distorted T-shaped geometry to two equivalent Mn(1) and one Co(1) atom. is represented by the CIF card [CIF]
data_Mn3CoO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.722
_cell_length_b   5.722
_cell_length_c   5.722
_cell_angle_alpha   61.252
_cell_angle_beta   61.252
_cell_angle_gamma   61.253
_symmetry_Int_Tables_number   1
_cell_volume   136.237
_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
  Mn  Mn0  1  0.500  0.500  0.000  1.0
  Mn  Mn1  1  0.500  0.000  0.500  1.0
  Mn  Mn2  1  0.000  0.500  0.500  1.0
  Co  Co3  1  0.500  0.500  0.500  1.0
  O  O4  1  0.263  0.263  0.263  1.0
  O  O5  1  0.705  0.267  0.267  1.0
  O  O6  1  0.267  0.267  0.705  1.0
  O  O7  1  0.267  0.705  0.267  1.0
  O  O8  1  0.733  0.295  0.733  1.0
  O  O9  1  0.733  0.733  0.295  1.0
  O  O10  1  0.295  0.733  0.733  1.0
  O  O11  1  0.737  0.737  0.737  1.0
[/CIF]
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The crystal structure described by Mn3CoO8 is trigonal omega-derived structured and crystallizes in the trigonal R-3m space group. Mn(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form MnO6 octahedra that share edges with two equivalent Co(1)O6 octahedra and edges with four equivalent Mn(1)O6 octahedra. Co(1) is bonded to six equivalent O(2) atoms to form CoO6 octahedra that share edges with six equivalent Mn(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 Mn(1) atoms. In the second O site, O(2) is bonded in a distorted T-shaped geometry to two equivalent Mn(1) and one Co(1) atom. is represented by the CIF card [CIF]
data_Mn3CoO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.722
_cell_length_b   5.722
_cell_length_c   5.722
_cell_angle_alpha   61.252
_cell_angle_beta   61.252
_cell_angle_gamma   61.253
_symmetry_Int_Tables_number   1
_cell_volume   136.237
_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
  Mn  Mn0  1  0.500  0.500  0.000  1.0
  Mn  Mn1  1  0.500  0.000  0.500  1.0
  Mn  Mn2  1  0.000  0.500  0.500  1.0
  Co  Co3  1  0.500  0.500  0.500  1.0
  O  O4  1  0.263  0.263  0.263  1.0
  O  O5  1  0.705  0.267  0.267  1.0
  O  O6  1  0.267  0.267  0.705  1.0
  O  O7  1  0.267  0.705  0.267  1.0
  O  O8  1  0.733  0.295  0.733  1.0
  O  O9  1  0.733  0.733  0.295  1.0
  O  O10  1  0.295  0.733  0.733  1.0
  O  O11  1  0.737  0.737  0.737  1.0
[/CIF]
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