The compound described by Mn(CoO2)4 crystallizes in the monoclinic C2/m 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, edges with two equivalent Co(2)O6 octahedra, and edges with four equivalent Co(3)O6 octahedra. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form CoO6 octahedra that share corners with six equivalent Co(2)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with four equivalent Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-14°. In the second Co site, Co(2) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form CoO6 octahedra that share corners with six equivalent Co(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with four equivalent Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-14°. In the third Co site, Co(3) 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 Mn(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with two equivalent Co(3)O6 octahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Mn(1) and two equivalent Co(3) atoms. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Mn(1), one Co(1), one Co(2), and one Co(3) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Co(1), one Co(2), and two equivalent Co(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mn(CoO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.756
_cell_length_b   5.756
_cell_length_c   5.979
_cell_angle_alpha   59.755
_cell_angle_beta   59.755
_cell_angle_gamma   59.961
_symmetry_Int_Tables_number   1
_cell_volume   139.511
_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
  Co  Co1  1  0.500  0.500  0.500  1.0
  Co  Co2  1  0.000  0.000  0.000  1.0
  Co  Co3  1  0.500  0.000  0.000  1.0
  Co  Co4  1  0.000  0.500  0.000  1.0
  O  O5  1  0.262  0.262  0.196  1.0
  O  O6  1  0.747  0.282  0.215  1.0
  O  O7  1  0.282  0.747  0.215  1.0
  O  O8  1  0.749  0.749  0.211  1.0
  O  O9  1  0.251  0.251  0.789  1.0
  O  O10  1  0.718  0.253  0.785  1.0
  O  O11  1  0.253  0.718  0.785  1.0
  O  O12  1  0.738  0.738  0.804  1.0
[/CIF]
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The compound described by Mn(CoO2)4 crystallizes in the monoclinic C2/m 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, edges with two equivalent Co(2)O6 octahedra, and edges with four equivalent Co(3)O6 octahedra. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form CoO6 octahedra that share corners with six equivalent Co(2)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with four equivalent Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-14°. In the second Co site, Co(2) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form CoO6 octahedra that share corners with six equivalent Co(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with four equivalent Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-14°. In the third Co site, Co(3) 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 Mn(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with two equivalent Co(3)O6 octahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Mn(1) and two equivalent Co(3) atoms. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Mn(1), one Co(1), one Co(2), and one Co(3) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Co(1), one Co(2), and two equivalent Co(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mn(CoO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.756
_cell_length_b   5.756
_cell_length_c   5.979
_cell_angle_alpha   59.755
_cell_angle_beta   59.755
_cell_angle_gamma   59.961
_symmetry_Int_Tables_number   1
_cell_volume   139.511
_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
  Co  Co1  1  0.500  0.500  0.500  1.0
  Co  Co2  1  0.000  0.000  0.000  1.0
  Co  Co3  1  0.500  0.000  0.000  1.0
  Co  Co4  1  0.000  0.500  0.000  1.0
  O  O5  1  0.262  0.262  0.196  1.0
  O  O6  1  0.747  0.282  0.215  1.0
  O  O7  1  0.282  0.747  0.215  1.0
  O  O8  1  0.749  0.749  0.211  1.0
  O  O9  1  0.251  0.251  0.789  1.0
  O  O10  1  0.718  0.253  0.785  1.0
  O  O11  1  0.253  0.718  0.785  1.0
  O  O12  1  0.738  0.738  0.804  1.0
[/CIF]
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