The structure described by Mn3BiO8 crystallizes in the trigonal R-3m space group. Mn(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form edge-sharing MnO6 octahedra. Bi(1) is bonded in a 6-coordinate geometry to six equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Mn(1) and one Bi(1) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to three equivalent Mn(1) atoms. is represented by the CIF file [CIF]
data_Mn3BiO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.448
_cell_length_b   6.448
_cell_length_c   6.448
_cell_angle_alpha   53.573
_cell_angle_beta   53.573
_cell_angle_gamma   53.573
_symmetry_Int_Tables_number   1
_cell_volume   161.084
_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
  Bi  Bi3  1  0.500  0.500  0.500  1.0
  O  O4  1  0.757  0.292  0.757  1.0
  O  O5  1  0.757  0.757  0.292  1.0
  O  O6  1  0.273  0.273  0.273  1.0
  O  O7  1  0.292  0.757  0.757  1.0
  O  O8  1  0.708  0.243  0.243  1.0
  O  O9  1  0.727  0.727  0.727  1.0
  O  O10  1  0.243  0.243  0.708  1.0
  O  O11  1  0.243  0.708  0.243  1.0
[/CIF]
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The structure described by Mn3BiO8 crystallizes in the trigonal R-3m space group. Mn(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form edge-sharing MnO6 octahedra. Bi(1) is bonded in a 6-coordinate geometry to six equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Mn(1) and one Bi(1) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to three equivalent Mn(1) atoms. is represented by the CIF file [CIF]
data_Mn3BiO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.448
_cell_length_b   6.448
_cell_length_c   6.448
_cell_angle_alpha   53.573
_cell_angle_beta   53.573
_cell_angle_gamma   53.573
_symmetry_Int_Tables_number   1
_cell_volume   161.084
_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
  Bi  Bi3  1  0.500  0.500  0.500  1.0
  O  O4  1  0.757  0.292  0.757  1.0
  O  O5  1  0.757  0.757  0.292  1.0
  O  O6  1  0.273  0.273  0.273  1.0
  O  O7  1  0.292  0.757  0.757  1.0
  O  O8  1  0.708  0.243  0.243  1.0
  O  O9  1  0.727  0.727  0.727  1.0
  O  O10  1  0.243  0.243  0.708  1.0
  O  O11  1  0.243  0.708  0.243  1.0
[/CIF]
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