The crystal structure described by ZnMn2O4 is Spinel structured and crystallizes in the tetragonal I4_1/amd space group. Mn(1) is bonded to six equivalent O(1) atoms to form MnO6 octahedra that share corners with six equivalent Zn(1)O4 tetrahedra and edges with six equivalent Mn(1)O6 octahedra. Zn(1) is bonded to four equivalent O(1) atoms to form ZnO4 tetrahedra that share corners with twelve equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-59°. O(1) is bonded to three equivalent Mn(1) and one Zn(1) atom to form a mixture of distorted corner and edge-sharing OMn3Zn trigonal pyramids. is represented by the CIF card [CIF]
data_Mn2ZnO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.716
_cell_length_b   5.716
_cell_length_c   6.150
_cell_angle_alpha   117.731
_cell_angle_beta   117.732
_cell_angle_gamma   89.966
_symmetry_Int_Tables_number   1
_cell_volume   151.334
_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  0.000  1.000  1.000  1.0
  Mn  Mn1  1  0.500  1.000  0.500  1.0
  Mn  Mn2  1  1.000  1.000  0.500  1.0
  Mn  Mn3  1  1.000  0.500  1.000  1.0
  Zn  Zn4  1  0.625  0.375  0.250  1.0
  Zn  Zn5  1  0.375  0.625  0.750  1.0
  O  O6  1  0.755  0.779  0.510  1.0
  O  O7  1  0.769  0.245  0.990  1.0
  O  O8  1  0.221  0.245  0.990  1.0
  O  O9  1  0.245  0.221  0.490  1.0
  O  O10  1  0.245  0.769  0.490  1.0
  O  O11  1  0.231  0.755  0.010  1.0
  O  O12  1  0.755  0.231  0.510  1.0
  O  O13  1  0.779  0.755  0.010  1.0
[/CIF]
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The crystal structure described by ZnMn2O4 is Spinel structured and crystallizes in the tetragonal I4_1/amd space group. Mn(1) is bonded to six equivalent O(1) atoms to form MnO6 octahedra that share corners with six equivalent Zn(1)O4 tetrahedra and edges with six equivalent Mn(1)O6 octahedra. Zn(1) is bonded to four equivalent O(1) atoms to form ZnO4 tetrahedra that share corners with twelve equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-59°. O(1) is bonded to three equivalent Mn(1) and one Zn(1) atom to form a mixture of distorted corner and edge-sharing OMn3Zn trigonal pyramids. is represented by the CIF card [CIF]
data_Mn2ZnO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.716
_cell_length_b   5.716
_cell_length_c   6.150
_cell_angle_alpha   117.731
_cell_angle_beta   117.732
_cell_angle_gamma   89.966
_symmetry_Int_Tables_number   1
_cell_volume   151.334
_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  0.000  1.000  1.000  1.0
  Mn  Mn1  1  0.500  1.000  0.500  1.0
  Mn  Mn2  1  1.000  1.000  0.500  1.0
  Mn  Mn3  1  1.000  0.500  1.000  1.0
  Zn  Zn4  1  0.625  0.375  0.250  1.0
  Zn  Zn5  1  0.375  0.625  0.750  1.0
  O  O6  1  0.755  0.779  0.510  1.0
  O  O7  1  0.769  0.245  0.990  1.0
  O  O8  1  0.221  0.245  0.990  1.0
  O  O9  1  0.245  0.221  0.490  1.0
  O  O10  1  0.245  0.769  0.490  1.0
  O  O11  1  0.231  0.755  0.010  1.0
  O  O12  1  0.755  0.231  0.510  1.0
  O  O13  1  0.779  0.755  0.010  1.0
[/CIF]
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