The crystal structure described by ZnMn2O4 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(4), two equivalent O(2), and three equivalent O(3) atoms to form a mixture of edge and corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 50-62°. In the second Mn site, Mn(2) is bonded to one O(2), two equivalent O(4), and three equivalent O(1) atoms to form a mixture of edge and corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 50-62°. Zn(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Mn(2) and two equivalent Zn(1) atoms to form a mixture of distorted edge and corner-sharing OMn3Zn2 trigonal bipyramids. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Mn(2), two equivalent Mn(1), and two equivalent Zn(1) atoms. In the third O site, O(3) is bonded to three equivalent Mn(1) and two equivalent Zn(1) atoms to form a mixture of distorted edge and corner-sharing OMn3Zn2 trigonal bipyramids. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Mn(1), two equivalent Mn(2), and two equivalent Zn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mn2ZnO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.008
_cell_length_b   9.108
_cell_length_c   10.495
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   287.564
_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  0.750  0.916  0.105  1.0
  Mn  Mn1  1  0.250  0.584  0.605  1.0
  Mn  Mn2  1  0.750  0.416  0.395  1.0
  Mn  Mn3  1  0.250  0.084  0.895  1.0
  Mn  Mn4  1  0.250  0.065  0.383  1.0
  Mn  Mn5  1  0.750  0.935  0.617  1.0
  Mn  Mn6  1  0.250  0.565  0.117  1.0
  Mn  Mn7  1  0.750  0.435  0.883  1.0
  Zn  Zn8  1  0.250  0.749  0.349  1.0
  Zn  Zn9  1  0.750  0.251  0.651  1.0
  Zn  Zn10  1  0.250  0.249  0.151  1.0
  Zn  Zn11  1  0.750  0.751  0.849  1.0
  O  O12  1  0.750  0.402  0.071  1.0
  O  O13  1  0.250  0.598  0.929  1.0
  O  O14  1  0.750  0.902  0.429  1.0
  O  O15  1  0.250  0.098  0.571  1.0
  O  O16  1  0.750  0.522  0.715  1.0
  O  O17  1  0.250  0.478  0.285  1.0
  O  O18  1  0.750  0.022  0.785  1.0
  O  O19  1  0.250  0.978  0.215  1.0
  O  O20  1  0.750  0.118  0.032  1.0
  O  O21  1  0.250  0.882  0.968  1.0
  O  O22  1  0.750  0.618  0.468  1.0
  O  O23  1  0.250  0.382  0.532  1.0
  O  O24  1  0.250  0.282  0.819  1.0
  O  O25  1  0.750  0.718  0.181  1.0
  O  O26  1  0.750  0.218  0.319  1.0
  O  O27  1  0.250  0.782  0.681  1.0
[/CIF]
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The crystal structure described by ZnMn2O4 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(4), two equivalent O(2), and three equivalent O(3) atoms to form a mixture of edge and corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 50-62°. In the second Mn site, Mn(2) is bonded to one O(2), two equivalent O(4), and three equivalent O(1) atoms to form a mixture of edge and corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 50-62°. Zn(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Mn(2) and two equivalent Zn(1) atoms to form a mixture of distorted edge and corner-sharing OMn3Zn2 trigonal bipyramids. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Mn(2), two equivalent Mn(1), and two equivalent Zn(1) atoms. In the third O site, O(3) is bonded to three equivalent Mn(1) and two equivalent Zn(1) atoms to form a mixture of distorted edge and corner-sharing OMn3Zn2 trigonal bipyramids. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Mn(1), two equivalent Mn(2), and two equivalent Zn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mn2ZnO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.008
_cell_length_b   9.108
_cell_length_c   10.495
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   287.564
_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  0.750  0.916  0.105  1.0
  Mn  Mn1  1  0.250  0.584  0.605  1.0
  Mn  Mn2  1  0.750  0.416  0.395  1.0
  Mn  Mn3  1  0.250  0.084  0.895  1.0
  Mn  Mn4  1  0.250  0.065  0.383  1.0
  Mn  Mn5  1  0.750  0.935  0.617  1.0
  Mn  Mn6  1  0.250  0.565  0.117  1.0
  Mn  Mn7  1  0.750  0.435  0.883  1.0
  Zn  Zn8  1  0.250  0.749  0.349  1.0
  Zn  Zn9  1  0.750  0.251  0.651  1.0
  Zn  Zn10  1  0.250  0.249  0.151  1.0
  Zn  Zn11  1  0.750  0.751  0.849  1.0
  O  O12  1  0.750  0.402  0.071  1.0
  O  O13  1  0.250  0.598  0.929  1.0
  O  O14  1  0.750  0.902  0.429  1.0
  O  O15  1  0.250  0.098  0.571  1.0
  O  O16  1  0.750  0.522  0.715  1.0
  O  O17  1  0.250  0.478  0.285  1.0
  O  O18  1  0.750  0.022  0.785  1.0
  O  O19  1  0.250  0.978  0.215  1.0
  O  O20  1  0.750  0.118  0.032  1.0
  O  O21  1  0.250  0.882  0.968  1.0
  O  O22  1  0.750  0.618  0.468  1.0
  O  O23  1  0.250  0.382  0.532  1.0
  O  O24  1  0.250  0.282  0.819  1.0
  O  O25  1  0.750  0.718  0.181  1.0
  O  O26  1  0.750  0.218  0.319  1.0
  O  O27  1  0.250  0.782  0.681  1.0
[/CIF]
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