The material described by Ni6MnO8 crystallizes in the cubic Fm-3m space group. Mn(1) is bonded to six equivalent O(1) atoms to form MnO6 octahedra that share edges with twelve equivalent Ni(1)O6 octahedra. Ni(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form NiO6 octahedra that share corners with six equivalent Ni(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with eight equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-10°. There are two inequivalent O sites. In the first O site, O(2) is bonded to six equivalent Ni(1) atoms to form ONi6 octahedra that share corners with six equivalent O(2)Ni6 octahedra and edges with twelve equivalent O(1)MnNi4 square pyramids. The corner-sharing octahedra are not tilted. In the second O site, O(1) is bonded to one Mn(1) and four equivalent Ni(1) atoms to form OMnNi4 square pyramids that share corners with nine equivalent O(1)MnNi4 square pyramids, edges with four equivalent O(2)Ni6 octahedra, and edges with four equivalent O(1)MnNi4 square pyramids. is represented by the CIF card [CIF]
data_Mn(Ni3O4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.892
_cell_length_b   5.892
_cell_length_c   5.892
_cell_angle_alpha   60.001
_cell_angle_beta   60.001
_cell_angle_gamma   60.001
_symmetry_Int_Tables_number   1
_cell_volume   144.664
_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  0.000  0.000  0.000  1.0
  Ni  Ni1  1  0.000  0.500  0.500  1.0
  Ni  Ni2  1  0.000  0.500  0.000  1.0
  Ni  Ni3  1  0.500  0.000  0.500  1.0
  Ni  Ni4  1  0.500  0.500  0.000  1.0
  Ni  Ni5  1  0.000  0.000  0.500  1.0
  Ni  Ni6  1  0.500  0.000  0.000  1.0
  O  O7  1  0.228  0.772  0.772  1.0
  O  O8  1  0.228  0.772  0.228  1.0
  O  O9  1  0.772  0.228  0.772  1.0
  O  O10  1  0.228  0.228  0.772  1.0
  O  O11  1  0.772  0.772  0.228  1.0
  O  O12  1  0.772  0.228  0.228  1.0
  O  O13  1  0.750  0.750  0.750  1.0
  O  O14  1  0.250  0.250  0.250  1.0
[/CIF]
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The material described by Ni6MnO8 crystallizes in the cubic Fm-3m space group. Mn(1) is bonded to six equivalent O(1) atoms to form MnO6 octahedra that share edges with twelve equivalent Ni(1)O6 octahedra. Ni(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form NiO6 octahedra that share corners with six equivalent Ni(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with eight equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-10°. There are two inequivalent O sites. In the first O site, O(2) is bonded to six equivalent Ni(1) atoms to form ONi6 octahedra that share corners with six equivalent O(2)Ni6 octahedra and edges with twelve equivalent O(1)MnNi4 square pyramids. The corner-sharing octahedra are not tilted. In the second O site, O(1) is bonded to one Mn(1) and four equivalent Ni(1) atoms to form OMnNi4 square pyramids that share corners with nine equivalent O(1)MnNi4 square pyramids, edges with four equivalent O(2)Ni6 octahedra, and edges with four equivalent O(1)MnNi4 square pyramids. is represented by the CIF card [CIF]
data_Mn(Ni3O4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.892
_cell_length_b   5.892
_cell_length_c   5.892
_cell_angle_alpha   60.001
_cell_angle_beta   60.001
_cell_angle_gamma   60.001
_symmetry_Int_Tables_number   1
_cell_volume   144.664
_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  0.000  0.000  0.000  1.0
  Ni  Ni1  1  0.000  0.500  0.500  1.0
  Ni  Ni2  1  0.000  0.500  0.000  1.0
  Ni  Ni3  1  0.500  0.000  0.500  1.0
  Ni  Ni4  1  0.500  0.500  0.000  1.0
  Ni  Ni5  1  0.000  0.000  0.500  1.0
  Ni  Ni6  1  0.500  0.000  0.000  1.0
  O  O7  1  0.228  0.772  0.772  1.0
  O  O8  1  0.228  0.772  0.228  1.0
  O  O9  1  0.772  0.228  0.772  1.0
  O  O10  1  0.228  0.228  0.772  1.0
  O  O11  1  0.772  0.772  0.228  1.0
  O  O12  1  0.772  0.228  0.228  1.0
  O  O13  1  0.750  0.750  0.750  1.0
  O  O14  1  0.250  0.250  0.250  1.0
[/CIF]
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