The crystal structure described by ZnMn2O4 is Spinel-like structured and crystallizes in the orthorhombic Imma space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form MnO4 tetrahedra that share corners with six equivalent Mn(2)O6 octahedra and corners with six equivalent Zn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-63°. In the second Mn site, Mn(2) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form MnO6 octahedra that share corners with six equivalent Mn(1)O4 tetrahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with four equivalent Zn(1)O6 octahedra. Zn(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form ZnO6 octahedra that share corners with six equivalent Mn(1)O4 tetrahedra, edges with two equivalent Zn(1)O6 octahedra, and edges with four equivalent Mn(2)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Mn(1), one Mn(2), and two equivalent Zn(1) atoms. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Mn(1), two equivalent Mn(2), and one Zn(1) atom. is represented by the CIF card [CIF]
data_Mn2ZnO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.130
_cell_length_b   6.130
_cell_length_c   6.130
_cell_angle_alpha   121.185
_cell_angle_beta   121.071
_cell_angle_gamma   88.057
_symmetry_Int_Tables_number   1
_cell_volume   160.027
_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  0.638  0.888  0.750  1.0
  Mn  Mn1  1  0.362  0.112  0.250  1.0
  Mn  Mn2  1  0.000  0.000  0.500  1.0
  Mn  Mn3  1  0.000  0.500  0.000  1.0
  Zn  Zn4  1  0.500  0.500  0.000  1.0
  Zn  Zn5  1  0.000  0.500  0.500  1.0
  O  O6  1  0.221  0.237  0.516  1.0
  O  O7  1  0.217  0.248  0.969  1.0
  O  O8  1  0.221  0.705  0.984  1.0
  O  O9  1  0.779  0.248  0.531  1.0
  O  O10  1  0.221  0.752  0.469  1.0
  O  O11  1  0.783  0.752  0.031  1.0
  O  O12  1  0.779  0.295  0.016  1.0
  O  O13  1  0.779  0.763  0.484  1.0
[/CIF]
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The crystal structure described by ZnMn2O4 is Spinel-like structured and crystallizes in the orthorhombic Imma space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form MnO4 tetrahedra that share corners with six equivalent Mn(2)O6 octahedra and corners with six equivalent Zn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-63°. In the second Mn site, Mn(2) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form MnO6 octahedra that share corners with six equivalent Mn(1)O4 tetrahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with four equivalent Zn(1)O6 octahedra. Zn(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form ZnO6 octahedra that share corners with six equivalent Mn(1)O4 tetrahedra, edges with two equivalent Zn(1)O6 octahedra, and edges with four equivalent Mn(2)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Mn(1), one Mn(2), and two equivalent Zn(1) atoms. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Mn(1), two equivalent Mn(2), and one Zn(1) atom. is represented by the CIF card [CIF]
data_Mn2ZnO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.130
_cell_length_b   6.130
_cell_length_c   6.130
_cell_angle_alpha   121.185
_cell_angle_beta   121.071
_cell_angle_gamma   88.057
_symmetry_Int_Tables_number   1
_cell_volume   160.027
_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  0.638  0.888  0.750  1.0
  Mn  Mn1  1  0.362  0.112  0.250  1.0
  Mn  Mn2  1  0.000  0.000  0.500  1.0
  Mn  Mn3  1  0.000  0.500  0.000  1.0
  Zn  Zn4  1  0.500  0.500  0.000  1.0
  Zn  Zn5  1  0.000  0.500  0.500  1.0
  O  O6  1  0.221  0.237  0.516  1.0
  O  O7  1  0.217  0.248  0.969  1.0
  O  O8  1  0.221  0.705  0.984  1.0
  O  O9  1  0.779  0.248  0.531  1.0
  O  O10  1  0.221  0.752  0.469  1.0
  O  O11  1  0.783  0.752  0.031  1.0
  O  O12  1  0.779  0.295  0.016  1.0
  O  O13  1  0.779  0.763  0.484  1.0
[/CIF]
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