The crystal structure 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 8-coordinate geometry to two equivalent O(1), two equivalent O(2), and four equivalent O(3) atoms. In the second Mn site, Mn(2) is bonded to one O(2), two equivalent O(1), and three equivalent O(3) atoms to form a mixture of corner and edge-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 9-53°. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Mn(1) and four equivalent Mn(2) atoms to form distorted OMn6 octahedra that share corners with two equivalent O(1)Mn6 octahedra, corners with eight equivalent O(3)Mn5 trigonal bipyramids, edges with two equivalent O(1)Mn6 octahedra, edges with four equivalent O(2)Mn4 tetrahedra, and edges with six equivalent O(3)Mn5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 48°. In the second O site, O(2) is bonded to two equivalent Mn(1) and two equivalent Mn(2) atoms to form distorted OMn4 tetrahedra that share corners with two equivalent O(2)Mn4 tetrahedra, corners with ten equivalent O(3)Mn5 trigonal bipyramids, edges with four equivalent O(1)Mn6 octahedra, and edges with two equivalent O(3)Mn5 trigonal bipyramids. In the third O site, O(3) is bonded to two equivalent Mn(1) and three equivalent Mn(2) atoms to form distorted OMn5 trigonal bipyramids that share corners with four equivalent O(1)Mn6 octahedra, corners with five equivalent O(2)Mn4 tetrahedra, corners with two equivalent O(3)Mn5 trigonal bipyramids, edges with three equivalent O(1)Mn6 octahedra,  an edgeedge with one O(2)Mn4 tetrahedra, and edges with five equivalent O(3)Mn5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 7-48°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mn3O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.070
_cell_length_b   9.725
_cell_length_c   9.953
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   297.149
_cell_formula_units_Z   4
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  0.295  0.750  0.143  1.0
  Mn  Mn1  1  0.295  0.250  0.357  1.0
  Mn  Mn2  1  0.785  0.430  0.114  1.0
  Mn  Mn3  1  0.785  0.570  0.386  1.0
  Mn  Mn4  1  0.785  0.070  0.114  1.0
  Mn  Mn5  1  0.785  0.930  0.386  1.0
  Mn  Mn6  1  0.705  0.250  0.857  1.0
  Mn  Mn7  1  0.705  0.750  0.643  1.0
  Mn  Mn8  1  0.215  0.430  0.614  1.0
  Mn  Mn9  1  0.215  0.930  0.886  1.0
  Mn  Mn10  1  0.215  0.570  0.886  1.0
  Mn  Mn11  1  0.215  0.070  0.614  1.0
  O  O12  1  0.365  0.500  0.250  1.0
  O  O13  1  0.365  0.000  0.250  1.0
  O  O14  1  0.635  1.000  0.750  1.0
  O  O15  1  0.635  0.500  0.750  1.0
  O  O16  1  0.205  0.750  0.799  1.0
  O  O17  1  0.795  0.750  0.299  1.0
  O  O18  1  0.205  0.250  0.701  1.0
  O  O19  1  0.795  0.250  0.201  1.0
  O  O20  1  0.793  0.112  0.471  1.0
  O  O21  1  0.793  0.612  0.029  1.0
  O  O22  1  0.793  0.388  0.471  1.0
  O  O23  1  0.207  0.888  0.529  1.0
  O  O24  1  0.207  0.612  0.529  1.0
  O  O25  1  0.207  0.112  0.971  1.0
  O  O26  1  0.207  0.388  0.971  1.0
  O  O27  1  0.793  0.888  0.029  1.0
[/CIF]
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The crystal structure 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 8-coordinate geometry to two equivalent O(1), two equivalent O(2), and four equivalent O(3) atoms. In the second Mn site, Mn(2) is bonded to one O(2), two equivalent O(1), and three equivalent O(3) atoms to form a mixture of corner and edge-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 9-53°. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Mn(1) and four equivalent Mn(2) atoms to form distorted OMn6 octahedra that share corners with two equivalent O(1)Mn6 octahedra, corners with eight equivalent O(3)Mn5 trigonal bipyramids, edges with two equivalent O(1)Mn6 octahedra, edges with four equivalent O(2)Mn4 tetrahedra, and edges with six equivalent O(3)Mn5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 48°. In the second O site, O(2) is bonded to two equivalent Mn(1) and two equivalent Mn(2) atoms to form distorted OMn4 tetrahedra that share corners with two equivalent O(2)Mn4 tetrahedra, corners with ten equivalent O(3)Mn5 trigonal bipyramids, edges with four equivalent O(1)Mn6 octahedra, and edges with two equivalent O(3)Mn5 trigonal bipyramids. In the third O site, O(3) is bonded to two equivalent Mn(1) and three equivalent Mn(2) atoms to form distorted OMn5 trigonal bipyramids that share corners with four equivalent O(1)Mn6 octahedra, corners with five equivalent O(2)Mn4 tetrahedra, corners with two equivalent O(3)Mn5 trigonal bipyramids, edges with three equivalent O(1)Mn6 octahedra,  an edgeedge with one O(2)Mn4 tetrahedra, and edges with five equivalent O(3)Mn5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 7-48°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mn3O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.070
_cell_length_b   9.725
_cell_length_c   9.953
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   297.149
_cell_formula_units_Z   4
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  0.295  0.750  0.143  1.0
  Mn  Mn1  1  0.295  0.250  0.357  1.0
  Mn  Mn2  1  0.785  0.430  0.114  1.0
  Mn  Mn3  1  0.785  0.570  0.386  1.0
  Mn  Mn4  1  0.785  0.070  0.114  1.0
  Mn  Mn5  1  0.785  0.930  0.386  1.0
  Mn  Mn6  1  0.705  0.250  0.857  1.0
  Mn  Mn7  1  0.705  0.750  0.643  1.0
  Mn  Mn8  1  0.215  0.430  0.614  1.0
  Mn  Mn9  1  0.215  0.930  0.886  1.0
  Mn  Mn10  1  0.215  0.570  0.886  1.0
  Mn  Mn11  1  0.215  0.070  0.614  1.0
  O  O12  1  0.365  0.500  0.250  1.0
  O  O13  1  0.365  0.000  0.250  1.0
  O  O14  1  0.635  1.000  0.750  1.0
  O  O15  1  0.635  0.500  0.750  1.0
  O  O16  1  0.205  0.750  0.799  1.0
  O  O17  1  0.795  0.750  0.299  1.0
  O  O18  1  0.205  0.250  0.701  1.0
  O  O19  1  0.795  0.250  0.201  1.0
  O  O20  1  0.793  0.112  0.471  1.0
  O  O21  1  0.793  0.612  0.029  1.0
  O  O22  1  0.793  0.388  0.471  1.0
  O  O23  1  0.207  0.888  0.529  1.0
  O  O24  1  0.207  0.612  0.529  1.0
  O  O25  1  0.207  0.112  0.971  1.0
  O  O26  1  0.207  0.388  0.971  1.0
  O  O27  1  0.793  0.888  0.029  1.0
[/CIF]
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