The compound described by ZnMn2O4 crystallizes in the monoclinic C2/m space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(2), two equivalent O(1), and three equivalent O(3) atoms to form distorted MnO6 octahedra that share corners with four equivalent Mn(2)O6 octahedra, corners with two equivalent Zn(1)O5 square pyramids, edges with four equivalent Mn(1)O6 octahedra, and edges with three equivalent Zn(1)O5 square pyramids. The corner-sharing octahedral tilt angles range from 49-55°. In the second Mn site, Mn(2) is bonded to one O(1), two equivalent O(2), and three equivalent O(4) atoms to form distorted MnO6 octahedra that share corners with four equivalent Mn(1)O6 octahedra, corners with four equivalent Zn(1)O5 square pyramids, edges with four equivalent Mn(2)O6 octahedra, and  a faceface with one Zn(1)O5 square pyramid. The corner-sharing octahedral tilt angles range from 49-55°. Zn(1) is bonded to one O(1), two equivalent O(3), and two equivalent O(4) atoms to form ZnO5 square pyramids that share corners with two equivalent Mn(1)O6 octahedra, corners with four equivalent Mn(2)O6 octahedra, edges with three equivalent Mn(1)O6 octahedra, edges with two equivalent Zn(1)O5 square pyramids, and  a faceface with one Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-59°. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Mn(2), two equivalent Mn(1), and one Zn(1) atom to form OMn3Zn trigonal pyramids that share corners with two equivalent O(3)Mn3Zn2 square pyramids, corners with two equivalent O(1)Mn3Zn trigonal pyramids, and edges with three equivalent O(3)Mn3Zn2 square pyramids. In the second O site, O(2) is bonded in a trigonal planar geometry to one Mn(1) and two equivalent Mn(2) atoms. In the third O site, O(3) is bonded to three equivalent Mn(1) and two equivalent Zn(1) atoms to form distorted OMn3Zn2 square pyramids that share corners with two equivalent O(1)Mn3Zn trigonal pyramids, edges with four equivalent O(3)Mn3Zn2 square pyramids, and edges with three equivalent O(1)Mn3Zn trigonal pyramids. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to three 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   7.670
_cell_length_b   7.670
_cell_length_c   9.325
_cell_angle_alpha   52.975
_cell_angle_beta   52.975
_cell_angle_gamma   22.590
_symmetry_Int_Tables_number   1
_cell_volume   166.325
_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  0.375  0.375  0.944  1.0
  Mn  Mn1  1  0.855  0.855  0.317  1.0
  Mn  Mn2  1  0.145  0.145  0.683  1.0
  Mn  Mn3  1  0.625  0.625  0.056  1.0
  Zn  Zn4  1  0.678  0.678  0.305  1.0
  Zn  Zn5  1  0.322  0.322  0.695  1.0
  O  O6  1  0.139  0.139  0.901  1.0
  O  O7  1  0.548  0.548  0.747  1.0
  O  O8  1  0.452  0.452  0.253  1.0
  O  O9  1  0.861  0.861  0.099  1.0
  O  O10  1  0.840  0.840  0.829  1.0
  O  O11  1  0.215  0.215  0.419  1.0
  O  O12  1  0.160  0.160  0.171  1.0
  O  O13  1  0.785  0.785  0.581  1.0
[/CIF]
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The compound described by ZnMn2O4 crystallizes in the monoclinic C2/m space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(2), two equivalent O(1), and three equivalent O(3) atoms to form distorted MnO6 octahedra that share corners with four equivalent Mn(2)O6 octahedra, corners with two equivalent Zn(1)O5 square pyramids, edges with four equivalent Mn(1)O6 octahedra, and edges with three equivalent Zn(1)O5 square pyramids. The corner-sharing octahedral tilt angles range from 49-55°. In the second Mn site, Mn(2) is bonded to one O(1), two equivalent O(2), and three equivalent O(4) atoms to form distorted MnO6 octahedra that share corners with four equivalent Mn(1)O6 octahedra, corners with four equivalent Zn(1)O5 square pyramids, edges with four equivalent Mn(2)O6 octahedra, and  a faceface with one Zn(1)O5 square pyramid. The corner-sharing octahedral tilt angles range from 49-55°. Zn(1) is bonded to one O(1), two equivalent O(3), and two equivalent O(4) atoms to form ZnO5 square pyramids that share corners with two equivalent Mn(1)O6 octahedra, corners with four equivalent Mn(2)O6 octahedra, edges with three equivalent Mn(1)O6 octahedra, edges with two equivalent Zn(1)O5 square pyramids, and  a faceface with one Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-59°. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Mn(2), two equivalent Mn(1), and one Zn(1) atom to form OMn3Zn trigonal pyramids that share corners with two equivalent O(3)Mn3Zn2 square pyramids, corners with two equivalent O(1)Mn3Zn trigonal pyramids, and edges with three equivalent O(3)Mn3Zn2 square pyramids. In the second O site, O(2) is bonded in a trigonal planar geometry to one Mn(1) and two equivalent Mn(2) atoms. In the third O site, O(3) is bonded to three equivalent Mn(1) and two equivalent Zn(1) atoms to form distorted OMn3Zn2 square pyramids that share corners with two equivalent O(1)Mn3Zn trigonal pyramids, edges with four equivalent O(3)Mn3Zn2 square pyramids, and edges with three equivalent O(1)Mn3Zn trigonal pyramids. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to three 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   7.670
_cell_length_b   7.670
_cell_length_c   9.325
_cell_angle_alpha   52.975
_cell_angle_beta   52.975
_cell_angle_gamma   22.590
_symmetry_Int_Tables_number   1
_cell_volume   166.325
_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  0.375  0.375  0.944  1.0
  Mn  Mn1  1  0.855  0.855  0.317  1.0
  Mn  Mn2  1  0.145  0.145  0.683  1.0
  Mn  Mn3  1  0.625  0.625  0.056  1.0
  Zn  Zn4  1  0.678  0.678  0.305  1.0
  Zn  Zn5  1  0.322  0.322  0.695  1.0
  O  O6  1  0.139  0.139  0.901  1.0
  O  O7  1  0.548  0.548  0.747  1.0
  O  O8  1  0.452  0.452  0.253  1.0
  O  O9  1  0.861  0.861  0.099  1.0
  O  O10  1  0.840  0.840  0.829  1.0
  O  O11  1  0.215  0.215  0.419  1.0
  O  O12  1  0.160  0.160  0.171  1.0
  O  O13  1  0.785  0.785  0.581  1.0
[/CIF]
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