The material described by Mg6MnO8 crystallizes in the cubic Fm-3m space group. Mg(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form MgO6 octahedra that share corners with six equivalent Mg(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with eight equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-10°. Mn(1) is bonded to six equivalent O(2) atoms to form MnO6 octahedra that share edges with twelve equivalent Mg(1)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded to six equivalent Mg(1) atoms to form OMg6 octahedra that share corners with six equivalent O(1)Mg6 octahedra and edges with twelve equivalent O(2)Mg4Mn square pyramids. The corner-sharing octahedra are not tilted. In the second O site, O(2) is bonded to four equivalent Mg(1) and one Mn(1) atom to form OMg4Mn square pyramids that share corners with nine equivalent O(2)Mg4Mn square pyramids, edges with four equivalent O(1)Mg6 octahedra, and edges with four equivalent O(2)Mg4Mn square pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg6MnO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.909
_cell_length_b   5.909
_cell_length_c   5.910
_cell_angle_alpha   60.006
_cell_angle_beta   60.006
_cell_angle_gamma   60.017
_symmetry_Int_Tables_number   1
_cell_volume   145.940
_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
  Mg  Mg0  1  0.000  0.500  0.000  1.0
  Mg  Mg1  1  0.500  0.500  1.000  1.0
  Mg  Mg2  1  0.000  1.000  0.500  1.0
  Mg  Mg3  1  0.500  1.000  0.500  1.0
  Mg  Mg4  1  0.000  0.500  0.500  1.0
  Mg  Mg5  1  0.500  0.000  1.000  1.0
  Mn  Mn6  1  0.000  1.000  0.000  1.0
  O  O7  1  0.750  0.750  0.750  1.0
  O  O8  1  0.250  0.250  0.250  1.0
  O  O9  1  0.771  0.229  0.771  1.0
  O  O10  1  0.229  0.229  0.771  1.0
  O  O11  1  0.771  0.771  0.229  1.0
  O  O12  1  0.771  0.229  0.229  1.0
  O  O13  1  0.229  0.771  0.771  1.0
  O  O14  1  0.229  0.771  0.229  1.0
[/CIF]
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The material described by Mg6MnO8 crystallizes in the cubic Fm-3m space group. Mg(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form MgO6 octahedra that share corners with six equivalent Mg(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with eight equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-10°. Mn(1) is bonded to six equivalent O(2) atoms to form MnO6 octahedra that share edges with twelve equivalent Mg(1)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded to six equivalent Mg(1) atoms to form OMg6 octahedra that share corners with six equivalent O(1)Mg6 octahedra and edges with twelve equivalent O(2)Mg4Mn square pyramids. The corner-sharing octahedra are not tilted. In the second O site, O(2) is bonded to four equivalent Mg(1) and one Mn(1) atom to form OMg4Mn square pyramids that share corners with nine equivalent O(2)Mg4Mn square pyramids, edges with four equivalent O(1)Mg6 octahedra, and edges with four equivalent O(2)Mg4Mn square pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg6MnO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.909
_cell_length_b   5.909
_cell_length_c   5.910
_cell_angle_alpha   60.006
_cell_angle_beta   60.006
_cell_angle_gamma   60.017
_symmetry_Int_Tables_number   1
_cell_volume   145.940
_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
  Mg  Mg0  1  0.000  0.500  0.000  1.0
  Mg  Mg1  1  0.500  0.500  1.000  1.0
  Mg  Mg2  1  0.000  1.000  0.500  1.0
  Mg  Mg3  1  0.500  1.000  0.500  1.0
  Mg  Mg4  1  0.000  0.500  0.500  1.0
  Mg  Mg5  1  0.500  0.000  1.000  1.0
  Mn  Mn6  1  0.000  1.000  0.000  1.0
  O  O7  1  0.750  0.750  0.750  1.0
  O  O8  1  0.250  0.250  0.250  1.0
  O  O9  1  0.771  0.229  0.771  1.0
  O  O10  1  0.229  0.229  0.771  1.0
  O  O11  1  0.771  0.771  0.229  1.0
  O  O12  1  0.771  0.229  0.229  1.0
  O  O13  1  0.229  0.771  0.771  1.0
  O  O14  1  0.229  0.771  0.229  1.0
[/CIF]
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