The structure described by Mn7O12 crystallizes in the cubic Im-3 space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a square co-planar geometry to four equivalent O(1) atoms. In the second Mn site, Mn(2) is bonded to six equivalent O(1) atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles are 39°. O(1) is bonded in a 3-coordinate geometry to one Mn(1) and two equivalent Mn(2) atoms. is represented by the CIF file [CIF]
data_Mn7O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.255
_cell_length_b   6.255
_cell_length_c   6.255
_cell_angle_alpha   109.472
_cell_angle_beta   109.471
_cell_angle_gamma   109.469
_symmetry_Int_Tables_number   1
_cell_volume   188.375
_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  0.500  0.500  1.0
  Mn  Mn1  1  1.000  0.500  1.000  1.0
  Mn  Mn2  1  1.000  0.000  0.500  1.0
  Mn  Mn3  1  0.500  0.500  0.500  1.0
  Mn  Mn4  1  0.500  0.000  0.500  1.0
  Mn  Mn5  1  0.500  0.500  0.000  1.0
  Mn  Mn6  1  0.500  0.000  0.000  1.0
  O  O7  1  0.187  0.873  0.686  1.0
  O  O8  1  0.127  0.314  0.813  1.0
  O  O9  1  0.187  0.501  0.314  1.0
  O  O10  1  0.314  0.813  0.127  1.0
  O  O11  1  0.499  0.686  0.813  1.0
  O  O12  1  0.314  0.187  0.501  1.0
  O  O13  1  0.686  0.813  0.499  1.0
  O  O14  1  0.501  0.314  0.187  1.0
  O  O15  1  0.686  0.187  0.873  1.0
  O  O16  1  0.813  0.499  0.686  1.0
  O  O17  1  0.873  0.686  0.187  1.0
  O  O18  1  0.813  0.127  0.314  1.0
[/CIF]
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The structure described by Mn7O12 crystallizes in the cubic Im-3 space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a square co-planar geometry to four equivalent O(1) atoms. In the second Mn site, Mn(2) is bonded to six equivalent O(1) atoms to form corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles are 39°. O(1) is bonded in a 3-coordinate geometry to one Mn(1) and two equivalent Mn(2) atoms. is represented by the CIF file [CIF]
data_Mn7O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.255
_cell_length_b   6.255
_cell_length_c   6.255
_cell_angle_alpha   109.472
_cell_angle_beta   109.471
_cell_angle_gamma   109.469
_symmetry_Int_Tables_number   1
_cell_volume   188.375
_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  0.500  0.500  1.0
  Mn  Mn1  1  1.000  0.500  1.000  1.0
  Mn  Mn2  1  1.000  0.000  0.500  1.0
  Mn  Mn3  1  0.500  0.500  0.500  1.0
  Mn  Mn4  1  0.500  0.000  0.500  1.0
  Mn  Mn5  1  0.500  0.500  0.000  1.0
  Mn  Mn6  1  0.500  0.000  0.000  1.0
  O  O7  1  0.187  0.873  0.686  1.0
  O  O8  1  0.127  0.314  0.813  1.0
  O  O9  1  0.187  0.501  0.314  1.0
  O  O10  1  0.314  0.813  0.127  1.0
  O  O11  1  0.499  0.686  0.813  1.0
  O  O12  1  0.314  0.187  0.501  1.0
  O  O13  1  0.686  0.813  0.499  1.0
  O  O14  1  0.501  0.314  0.187  1.0
  O  O15  1  0.686  0.187  0.873  1.0
  O  O16  1  0.813  0.499  0.686  1.0
  O  O17  1  0.873  0.686  0.187  1.0
  O  O18  1  0.813  0.127  0.314  1.0
[/CIF]
.