The material structure described by ZnMn2O4 is Spinel structured and crystallizes in the triclinic P-1 space group. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MnO6 octahedra that share corners with six equivalent Zn(1)O4 tetrahedra, edges with two equivalent Mn(2)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, and edges with two equivalent Mn(4)O6 octahedra. In the second Mn site, Mn(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form MnO6 octahedra that share corners with six equivalent Zn(1)O4 tetrahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, and edges with two equivalent Mn(4)O6 octahedra. In the third Mn site, Mn(3) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form MnO6 octahedra that share corners with six equivalent Zn(1)O4 tetrahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with two equivalent Mn(4)O6 octahedra. In the fourth Mn site, Mn(4) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form MnO6 octahedra that share corners with six equivalent Zn(1)O4 tetrahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with two equivalent Mn(3)O6 octahedra. Zn(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form ZnO4 tetrahedra that share corners with three equivalent Mn(1)O6 octahedra, corners with three equivalent Mn(2)O6 octahedra, corners with three equivalent Mn(3)O6 octahedra, and corners with three equivalent Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-63°. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Mn(1), one Mn(2), one Mn(3), and one Zn(1) atom to form a mixture of distorted corner and edge-sharing OMn3Zn trigonal pyramids. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Mn(1), one Mn(2), one Mn(4), and one Zn(1) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Mn(1), one Mn(3), one Mn(4), and one Zn(1) atom. In the fourth O site, O(4) is bonded to one Mn(2), one Mn(3), one Mn(4), and one Zn(1) atom to form a mixture of distorted corner and edge-sharing OMn3Zn trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mn2ZnO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.846
_cell_length_b   5.852
_cell_length_c   6.130
_cell_angle_alpha   118.452
_cell_angle_beta   118.032
_cell_angle_gamma   90.248
_symmetry_Int_Tables_number   1
_cell_volume   155.562
_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  1.000  0.000  1.000  1.0
  Mn  Mn1  1  0.500  0.000  0.500  1.0
  Mn  Mn2  1  1.000  1.000  0.500  1.0
  Mn  Mn3  1  0.000  0.500  0.000  1.0
  Zn  Zn4  1  0.621  0.371  0.246  1.0
  Zn  Zn5  1  0.379  0.629  0.754  1.0
  O  O6  1  0.751  0.777  0.506  1.0
  O  O7  1  0.777  0.246  0.994  1.0
  O  O8  1  0.210  0.228  0.956  1.0
  O  O9  1  0.249  0.223  0.494  1.0
  O  O10  1  0.249  0.768  0.491  1.0
  O  O11  1  0.223  0.754  0.006  1.0
  O  O12  1  0.751  0.232  0.509  1.0
  O  O13  1  0.790  0.772  0.044  1.0
[/CIF]
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The material structure described by ZnMn2O4 is Spinel structured and crystallizes in the triclinic P-1 space group. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MnO6 octahedra that share corners with six equivalent Zn(1)O4 tetrahedra, edges with two equivalent Mn(2)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, and edges with two equivalent Mn(4)O6 octahedra. In the second Mn site, Mn(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form MnO6 octahedra that share corners with six equivalent Zn(1)O4 tetrahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, and edges with two equivalent Mn(4)O6 octahedra. In the third Mn site, Mn(3) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form MnO6 octahedra that share corners with six equivalent Zn(1)O4 tetrahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with two equivalent Mn(4)O6 octahedra. In the fourth Mn site, Mn(4) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form MnO6 octahedra that share corners with six equivalent Zn(1)O4 tetrahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with two equivalent Mn(3)O6 octahedra. Zn(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form ZnO4 tetrahedra that share corners with three equivalent Mn(1)O6 octahedra, corners with three equivalent Mn(2)O6 octahedra, corners with three equivalent Mn(3)O6 octahedra, and corners with three equivalent Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-63°. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Mn(1), one Mn(2), one Mn(3), and one Zn(1) atom to form a mixture of distorted corner and edge-sharing OMn3Zn trigonal pyramids. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Mn(1), one Mn(2), one Mn(4), and one Zn(1) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Mn(1), one Mn(3), one Mn(4), and one Zn(1) atom. In the fourth O site, O(4) is bonded to one Mn(2), one Mn(3), one Mn(4), and one Zn(1) atom to form a mixture of distorted corner and edge-sharing OMn3Zn trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mn2ZnO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.846
_cell_length_b   5.852
_cell_length_c   6.130
_cell_angle_alpha   118.452
_cell_angle_beta   118.032
_cell_angle_gamma   90.248
_symmetry_Int_Tables_number   1
_cell_volume   155.562
_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  1.000  0.000  1.000  1.0
  Mn  Mn1  1  0.500  0.000  0.500  1.0
  Mn  Mn2  1  1.000  1.000  0.500  1.0
  Mn  Mn3  1  0.000  0.500  0.000  1.0
  Zn  Zn4  1  0.621  0.371  0.246  1.0
  Zn  Zn5  1  0.379  0.629  0.754  1.0
  O  O6  1  0.751  0.777  0.506  1.0
  O  O7  1  0.777  0.246  0.994  1.0
  O  O8  1  0.210  0.228  0.956  1.0
  O  O9  1  0.249  0.223  0.494  1.0
  O  O10  1  0.249  0.768  0.491  1.0
  O  O11  1  0.223  0.754  0.006  1.0
  O  O12  1  0.751  0.232  0.509  1.0
  O  O13  1  0.790  0.772  0.044  1.0
[/CIF]
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