The material described by Mn3O4 crystallizes in the orthorhombic Pmc2_1 space group. There are four 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(5) atoms. In the second Mn site, Mn(2) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(3), and four equivalent O(4) atoms. In the third Mn site, Mn(3) is bonded to one O(3), one O(5), two equivalent O(1), and two equivalent O(4) atoms to form a mixture of edge and corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 9-53°. In the fourth Mn site, Mn(4) is bonded to one O(2), one O(4), two equivalent O(1), and two equivalent O(5) atoms to form a mixture of edge and corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 9-53°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to one Mn(1), one Mn(2), two equivalent Mn(3), and two equivalent Mn(4) atoms. In the second O site, O(2) is bonded to two equivalent Mn(1) and two equivalent Mn(4) atoms to form distorted OMn4 tetrahedra that share corners with two equivalent O(2)Mn4 tetrahedra, corners with two equivalent O(4)Mn5 trigonal bipyramids, corners with eight equivalent O(5)Mn5 trigonal bipyramids, and edges with two equivalent O(5)Mn5 trigonal bipyramids. In the third O site, O(3) is bonded to two equivalent Mn(2) and two equivalent Mn(3) atoms to form distorted OMn4 tetrahedra that share corners with two equivalent O(3)Mn4 tetrahedra, corners with two equivalent O(5)Mn5 trigonal bipyramids, corners with eight equivalent O(4)Mn5 trigonal bipyramids, and edges with two equivalent O(4)Mn5 trigonal bipyramids. In the fourth O site, O(4) is bonded to one Mn(4), two equivalent Mn(2), and two equivalent Mn(3) atoms to form distorted OMn5 trigonal bipyramids that share  a cornercorner with one O(2)Mn4 tetrahedra, corners with four equivalent O(3)Mn4 tetrahedra, corners with two equivalent O(4)Mn5 trigonal bipyramids,  an edgeedge with one O(3)Mn4 tetrahedra, edges with two equivalent O(5)Mn5 trigonal bipyramids, and edges with three equivalent O(4)Mn5 trigonal bipyramids. In the fifth O site, O(5) is bonded to one Mn(3), two equivalent Mn(1), and two equivalent Mn(4) atoms to form distorted OMn5 trigonal bipyramids that share  a cornercorner with one O(3)Mn4 tetrahedra, corners with four equivalent O(2)Mn4 tetrahedra, corners with two equivalent O(5)Mn5 trigonal bipyramids,  an edgeedge with one O(2)Mn4 tetrahedra, edges with two equivalent O(4)Mn5 trigonal bipyramids, and edges with three equivalent O(5)Mn5 trigonal bipyramids. is represented by the CIF card [CIF]
data_Mn3O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.069
_cell_length_b   9.743
_cell_length_c   9.992
_cell_angle_alpha   89.999
_cell_angle_beta   89.906
_cell_angle_gamma   89.999
_symmetry_Int_Tables_number   1
_cell_volume   298.818
_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  0.298  0.750  0.143  1.0
  Mn  Mn1  1  0.702  0.750  0.643  1.0
  Mn  Mn2  1  0.686  0.250  0.855  1.0
  Mn  Mn3  1  0.314  0.250  0.355  1.0
  Mn  Mn4  1  0.209  0.430  0.615  1.0
  Mn  Mn5  1  0.215  0.929  0.885  1.0
  Mn  Mn6  1  0.791  0.430  0.115  1.0
  Mn  Mn7  1  0.215  0.571  0.885  1.0
  Mn  Mn8  1  0.786  0.571  0.385  1.0
  Mn  Mn9  1  0.791  0.070  0.115  1.0
  Mn  Mn10  1  0.785  0.929  0.385  1.0
  Mn  Mn11  1  0.208  0.070  0.615  1.0
  O  O12  1  0.372  0.499  0.250  1.0
  O  O13  1  0.372  0.001  0.250  1.0
  O  O14  1  0.628  0.001  0.750  1.0
  O  O15  1  0.628  0.499  0.750  1.0
  O  O16  1  0.202  0.750  0.799  1.0
  O  O17  1  0.799  0.750  0.299  1.0
  O  O18  1  0.190  0.250  0.702  1.0
  O  O19  1  0.810  0.250  0.202  1.0
  O  O20  1  0.789  0.112  0.471  1.0
  O  O21  1  0.795  0.612  0.029  1.0
  O  O22  1  0.789  0.388  0.471  1.0
  O  O23  1  0.205  0.888  0.529  1.0
  O  O24  1  0.205  0.612  0.529  1.0
  O  O25  1  0.211  0.112  0.971  1.0
  O  O26  1  0.211  0.388  0.971  1.0
  O  O27  1  0.795  0.888  0.029  1.0
[/CIF]
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The material described by Mn3O4 crystallizes in the orthorhombic Pmc2_1 space group. There are four 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(5) atoms. In the second Mn site, Mn(2) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(3), and four equivalent O(4) atoms. In the third Mn site, Mn(3) is bonded to one O(3), one O(5), two equivalent O(1), and two equivalent O(4) atoms to form a mixture of edge and corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 9-53°. In the fourth Mn site, Mn(4) is bonded to one O(2), one O(4), two equivalent O(1), and two equivalent O(5) atoms to form a mixture of edge and corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 9-53°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to one Mn(1), one Mn(2), two equivalent Mn(3), and two equivalent Mn(4) atoms. In the second O site, O(2) is bonded to two equivalent Mn(1) and two equivalent Mn(4) atoms to form distorted OMn4 tetrahedra that share corners with two equivalent O(2)Mn4 tetrahedra, corners with two equivalent O(4)Mn5 trigonal bipyramids, corners with eight equivalent O(5)Mn5 trigonal bipyramids, and edges with two equivalent O(5)Mn5 trigonal bipyramids. In the third O site, O(3) is bonded to two equivalent Mn(2) and two equivalent Mn(3) atoms to form distorted OMn4 tetrahedra that share corners with two equivalent O(3)Mn4 tetrahedra, corners with two equivalent O(5)Mn5 trigonal bipyramids, corners with eight equivalent O(4)Mn5 trigonal bipyramids, and edges with two equivalent O(4)Mn5 trigonal bipyramids. In the fourth O site, O(4) is bonded to one Mn(4), two equivalent Mn(2), and two equivalent Mn(3) atoms to form distorted OMn5 trigonal bipyramids that share  a cornercorner with one O(2)Mn4 tetrahedra, corners with four equivalent O(3)Mn4 tetrahedra, corners with two equivalent O(4)Mn5 trigonal bipyramids,  an edgeedge with one O(3)Mn4 tetrahedra, edges with two equivalent O(5)Mn5 trigonal bipyramids, and edges with three equivalent O(4)Mn5 trigonal bipyramids. In the fifth O site, O(5) is bonded to one Mn(3), two equivalent Mn(1), and two equivalent Mn(4) atoms to form distorted OMn5 trigonal bipyramids that share  a cornercorner with one O(3)Mn4 tetrahedra, corners with four equivalent O(2)Mn4 tetrahedra, corners with two equivalent O(5)Mn5 trigonal bipyramids,  an edgeedge with one O(2)Mn4 tetrahedra, edges with two equivalent O(4)Mn5 trigonal bipyramids, and edges with three equivalent O(5)Mn5 trigonal bipyramids. is represented by the CIF card [CIF]
data_Mn3O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.069
_cell_length_b   9.743
_cell_length_c   9.992
_cell_angle_alpha   89.999
_cell_angle_beta   89.906
_cell_angle_gamma   89.999
_symmetry_Int_Tables_number   1
_cell_volume   298.818
_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  0.298  0.750  0.143  1.0
  Mn  Mn1  1  0.702  0.750  0.643  1.0
  Mn  Mn2  1  0.686  0.250  0.855  1.0
  Mn  Mn3  1  0.314  0.250  0.355  1.0
  Mn  Mn4  1  0.209  0.430  0.615  1.0
  Mn  Mn5  1  0.215  0.929  0.885  1.0
  Mn  Mn6  1  0.791  0.430  0.115  1.0
  Mn  Mn7  1  0.215  0.571  0.885  1.0
  Mn  Mn8  1  0.786  0.571  0.385  1.0
  Mn  Mn9  1  0.791  0.070  0.115  1.0
  Mn  Mn10  1  0.785  0.929  0.385  1.0
  Mn  Mn11  1  0.208  0.070  0.615  1.0
  O  O12  1  0.372  0.499  0.250  1.0
  O  O13  1  0.372  0.001  0.250  1.0
  O  O14  1  0.628  0.001  0.750  1.0
  O  O15  1  0.628  0.499  0.750  1.0
  O  O16  1  0.202  0.750  0.799  1.0
  O  O17  1  0.799  0.750  0.299  1.0
  O  O18  1  0.190  0.250  0.702  1.0
  O  O19  1  0.810  0.250  0.202  1.0
  O  O20  1  0.789  0.112  0.471  1.0
  O  O21  1  0.795  0.612  0.029  1.0
  O  O22  1  0.789  0.388  0.471  1.0
  O  O23  1  0.205  0.888  0.529  1.0
  O  O24  1  0.205  0.612  0.529  1.0
  O  O25  1  0.211  0.112  0.971  1.0
  O  O26  1  0.211  0.388  0.971  1.0
  O  O27  1  0.795  0.888  0.029  1.0
[/CIF]
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