The material structure described by ZnMn2O4 crystallizes in the triclinic P-1 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 two equivalent O(3) atoms to form MnO5 square pyramids that share corners with four equivalent Mn(2)O6 octahedra, corners with four equivalent Zn(1)O5 trigonal bipyramids, edges with two equivalent Mn(1)O5 square pyramids, and  an edgeedge with one Zn(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 49-52°. 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)O5 square pyramids, corners with four equivalent Zn(1)O5 trigonal bipyramids, edges with four equivalent Mn(2)O6 octahedra, and  a faceface with one Zn(1)O5 trigonal bipyramid. Zn(1) is bonded to one O(1), two equivalent O(3), and two equivalent O(4) atoms to form ZnO5 trigonal bipyramids that share corners with four equivalent Mn(2)O6 octahedra, corners with four equivalent Mn(1)O5 square pyramids,  an edgeedge with one Mn(1)O5 square pyramid, edges with two equivalent Zn(1)O5 trigonal bipyramids, and  a faceface with one Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-62°. 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 distorted OMn3Zn tetrahedra that share corners with two equivalent O(1)Mn3Zn tetrahedra,  a cornercorner with one O(4)Mn3Zn2 trigonal bipyramid, and edges with two equivalent O(4)Mn3Zn2 trigonal bipyramids. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Mn(1) and two equivalent Mn(2) atoms. In the third O site, O(3) is bonded in a square co-planar geometry to two equivalent Mn(1) and two equivalent Zn(1) atoms. In the fourth O site, O(4) is bonded to three equivalent Mn(2) and two equivalent Zn(1) atoms to form distorted OMn3Zn2 trigonal bipyramids that share  a cornercorner with one O(1)Mn3Zn tetrahedra, edges with two equivalent O(1)Mn3Zn tetrahedra, and edges with four equivalent O(4)Mn3Zn2 trigonal bipyramids. is represented by the CIF card [CIF]
data_Mn2ZnO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.886
_cell_length_b   8.116
_cell_length_c   7.980
_cell_angle_alpha   73.469
_cell_angle_beta   79.773
_cell_angle_gamma   79.423
_symmetry_Int_Tables_number   1
_cell_volume   174.571
_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  0.611  0.175  0.609  1.0
  Mn  Mn1  1  0.145  0.509  0.199  1.0
  Mn  Mn2  1  0.852  0.468  0.833  1.0
  Mn  Mn3  1  0.384  0.802  0.423  1.0
  Zn  Zn4  1  0.292  0.161  0.237  1.0
  Zn  Zn5  1  0.703  0.816  0.796  1.0
  O  O6  1  0.858  0.701  0.582  1.0
  O  O7  1  0.447  0.334  0.780  1.0
  O  O8  1  0.549  0.643  0.253  1.0
  O  O9  1  0.136  0.276  0.450  1.0
  O  O10  1  0.142  0.006  0.727  1.0
  O  O11  1  0.759  0.353  0.128  1.0
  O  O12  1  0.852  0.971  0.305  1.0
  O  O13  1  0.238  0.624  0.904  1.0
[/CIF]
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The material structure described by ZnMn2O4 crystallizes in the triclinic P-1 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 two equivalent O(3) atoms to form MnO5 square pyramids that share corners with four equivalent Mn(2)O6 octahedra, corners with four equivalent Zn(1)O5 trigonal bipyramids, edges with two equivalent Mn(1)O5 square pyramids, and  an edgeedge with one Zn(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 49-52°. 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)O5 square pyramids, corners with four equivalent Zn(1)O5 trigonal bipyramids, edges with four equivalent Mn(2)O6 octahedra, and  a faceface with one Zn(1)O5 trigonal bipyramid. Zn(1) is bonded to one O(1), two equivalent O(3), and two equivalent O(4) atoms to form ZnO5 trigonal bipyramids that share corners with four equivalent Mn(2)O6 octahedra, corners with four equivalent Mn(1)O5 square pyramids,  an edgeedge with one Mn(1)O5 square pyramid, edges with two equivalent Zn(1)O5 trigonal bipyramids, and  a faceface with one Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-62°. 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 distorted OMn3Zn tetrahedra that share corners with two equivalent O(1)Mn3Zn tetrahedra,  a cornercorner with one O(4)Mn3Zn2 trigonal bipyramid, and edges with two equivalent O(4)Mn3Zn2 trigonal bipyramids. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Mn(1) and two equivalent Mn(2) atoms. In the third O site, O(3) is bonded in a square co-planar geometry to two equivalent Mn(1) and two equivalent Zn(1) atoms. In the fourth O site, O(4) is bonded to three equivalent Mn(2) and two equivalent Zn(1) atoms to form distorted OMn3Zn2 trigonal bipyramids that share  a cornercorner with one O(1)Mn3Zn tetrahedra, edges with two equivalent O(1)Mn3Zn tetrahedra, and edges with four equivalent O(4)Mn3Zn2 trigonal bipyramids. is represented by the CIF card [CIF]
data_Mn2ZnO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.886
_cell_length_b   8.116
_cell_length_c   7.980
_cell_angle_alpha   73.469
_cell_angle_beta   79.773
_cell_angle_gamma   79.423
_symmetry_Int_Tables_number   1
_cell_volume   174.571
_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  0.611  0.175  0.609  1.0
  Mn  Mn1  1  0.145  0.509  0.199  1.0
  Mn  Mn2  1  0.852  0.468  0.833  1.0
  Mn  Mn3  1  0.384  0.802  0.423  1.0
  Zn  Zn4  1  0.292  0.161  0.237  1.0
  Zn  Zn5  1  0.703  0.816  0.796  1.0
  O  O6  1  0.858  0.701  0.582  1.0
  O  O7  1  0.447  0.334  0.780  1.0
  O  O8  1  0.549  0.643  0.253  1.0
  O  O9  1  0.136  0.276  0.450  1.0
  O  O10  1  0.142  0.006  0.727  1.0
  O  O11  1  0.759  0.353  0.128  1.0
  O  O12  1  0.852  0.971  0.305  1.0
  O  O13  1  0.238  0.624  0.904  1.0
[/CIF]
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