The compound described by Mn3O4 crystallizes in the orthorhombic Pbcm space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a distorted see-saw-like geometry to two equivalent O(2) and two equivalent O(3) atoms. In the second Mn site, Mn(2) is bonded in a 6-coordinate geometry to one O(2), two equivalent O(1), and three equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a square co-planar geometry to four equivalent Mn(2) atoms. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to two equivalent Mn(1) and two equivalent Mn(2) atoms. In the third O site, O(3) is bonded to one Mn(1) and three equivalent Mn(2) atoms to form a mixture of distorted corner and edge-sharing OMn4 trigonal pyramids. is represented by the CIF file [CIF]
data_Mn3O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.169
_cell_length_b   5.642
_cell_length_c   12.023
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   106.311
_symmetry_Int_Tables_number   1
_cell_volume   206.312
_cell_formula_units_Z   2
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  0.195  0.889  0.750  1.0
  Mn  Mn1  1  0.805  0.111  0.250  1.0
  Mn  Mn2  1  0.626  0.752  0.534  1.0
  Mn  Mn3  1  0.374  0.248  0.034  1.0
  Mn  Mn4  1  0.374  0.248  0.466  1.0
  Mn  Mn5  1  0.626  0.752  0.966  1.0
  O  O6  1  0.000  0.500  0.500  1.0
  O  O7  1  1.000  0.500  0.000  1.0
  O  O8  1  0.604  0.708  0.750  1.0
  O  O9  1  0.396  0.292  0.250  1.0
  O  O10  1  0.233  0.965  0.595  1.0
  O  O11  1  0.767  0.035  0.095  1.0
  O  O12  1  0.767  0.035  0.405  1.0
  O  O13  1  0.233  0.965  0.905  1.0
[/CIF]
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The compound described by Mn3O4 crystallizes in the orthorhombic Pbcm space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a distorted see-saw-like geometry to two equivalent O(2) and two equivalent O(3) atoms. In the second Mn site, Mn(2) is bonded in a 6-coordinate geometry to one O(2), two equivalent O(1), and three equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a square co-planar geometry to four equivalent Mn(2) atoms. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to two equivalent Mn(1) and two equivalent Mn(2) atoms. In the third O site, O(3) is bonded to one Mn(1) and three equivalent Mn(2) atoms to form a mixture of distorted corner and edge-sharing OMn4 trigonal pyramids. is represented by the CIF file [CIF]
data_Mn3O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.169
_cell_length_b   5.642
_cell_length_c   12.023
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   106.311
_symmetry_Int_Tables_number   1
_cell_volume   206.312
_cell_formula_units_Z   2
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  0.195  0.889  0.750  1.0
  Mn  Mn1  1  0.805  0.111  0.250  1.0
  Mn  Mn2  1  0.626  0.752  0.534  1.0
  Mn  Mn3  1  0.374  0.248  0.034  1.0
  Mn  Mn4  1  0.374  0.248  0.466  1.0
  Mn  Mn5  1  0.626  0.752  0.966  1.0
  O  O6  1  0.000  0.500  0.500  1.0
  O  O7  1  1.000  0.500  0.000  1.0
  O  O8  1  0.604  0.708  0.750  1.0
  O  O9  1  0.396  0.292  0.250  1.0
  O  O10  1  0.233  0.965  0.595  1.0
  O  O11  1  0.767  0.035  0.095  1.0
  O  O12  1  0.767  0.035  0.405  1.0
  O  O13  1  0.233  0.965  0.905  1.0
[/CIF]
.