The material described by ZnMn3O7 crystallizes in the trigonal R-3 space group. Mn(1) is bonded to one O(3), two equivalent O(2), and three equivalent O(1) atoms to form MnO6 octahedra that share corners with three equivalent Zn(1)O4 tetrahedra and edges with five equivalent Mn(1)O6 octahedra. Zn(1) is bonded to one O(3) and three equivalent O(2) atoms to form ZnO4 tetrahedra that share corners with nine equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-59°. There are three inequivalent O sites. In the first O site, O(3) is bonded in a distorted trigonal pyramidal geometry to three equivalent Mn(1) and one Zn(1) atom. In the second O site, O(1) is bonded in a distorted T-shaped geometry to three equivalent Mn(1) atoms. In the third O site, O(2) is bonded in a trigonal planar geometry to two equivalent Mn(1) and one Zn(1) atom. is represented by the CIF card [CIF]
data_Mn3ZnO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.445
_cell_length_b   6.445
_cell_length_c   6.445
_cell_angle_alpha   71.563
_cell_angle_beta   71.563
_cell_angle_gamma   71.563
_symmetry_Int_Tables_number   1
_cell_volume   233.859
_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  0.580  0.140  0.285  1.0
  Mn  Mn1  1  0.285  0.580  0.140  1.0
  Mn  Mn2  1  0.140  0.285  0.580  1.0
  Mn  Mn3  1  0.420  0.860  0.715  1.0
  Mn  Mn4  1  0.715  0.420  0.860  1.0
  Mn  Mn5  1  0.860  0.715  0.420  1.0
  Zn  Zn6  1  0.872  0.872  0.872  1.0
  Zn  Zn7  1  0.128  0.128  0.128  1.0
  O  O8  1  0.555  0.838  0.406  1.0
  O  O9  1  0.406  0.555  0.838  1.0
  O  O10  1  0.838  0.406  0.555  1.0
  O  O11  1  0.445  0.162  0.594  1.0
  O  O12  1  0.594  0.445  0.162  1.0
  O  O13  1  0.162  0.594  0.445  1.0
  O  O14  1  0.133  0.981  0.669  1.0
  O  O15  1  0.669  0.133  0.981  1.0
  O  O16  1  0.981  0.669  0.133  1.0
  O  O17  1  0.867  0.019  0.331  1.0
  O  O18  1  0.331  0.867  0.019  1.0
  O  O19  1  0.019  0.331  0.867  1.0
  O  O20  1  0.265  0.265  0.265  1.0
  O  O21  1  0.735  0.735  0.735  1.0
[/CIF]
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The material described by ZnMn3O7 crystallizes in the trigonal R-3 space group. Mn(1) is bonded to one O(3), two equivalent O(2), and three equivalent O(1) atoms to form MnO6 octahedra that share corners with three equivalent Zn(1)O4 tetrahedra and edges with five equivalent Mn(1)O6 octahedra. Zn(1) is bonded to one O(3) and three equivalent O(2) atoms to form ZnO4 tetrahedra that share corners with nine equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-59°. There are three inequivalent O sites. In the first O site, O(3) is bonded in a distorted trigonal pyramidal geometry to three equivalent Mn(1) and one Zn(1) atom. In the second O site, O(1) is bonded in a distorted T-shaped geometry to three equivalent Mn(1) atoms. In the third O site, O(2) is bonded in a trigonal planar geometry to two equivalent Mn(1) and one Zn(1) atom. is represented by the CIF card [CIF]
data_Mn3ZnO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.445
_cell_length_b   6.445
_cell_length_c   6.445
_cell_angle_alpha   71.563
_cell_angle_beta   71.563
_cell_angle_gamma   71.563
_symmetry_Int_Tables_number   1
_cell_volume   233.859
_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  0.580  0.140  0.285  1.0
  Mn  Mn1  1  0.285  0.580  0.140  1.0
  Mn  Mn2  1  0.140  0.285  0.580  1.0
  Mn  Mn3  1  0.420  0.860  0.715  1.0
  Mn  Mn4  1  0.715  0.420  0.860  1.0
  Mn  Mn5  1  0.860  0.715  0.420  1.0
  Zn  Zn6  1  0.872  0.872  0.872  1.0
  Zn  Zn7  1  0.128  0.128  0.128  1.0
  O  O8  1  0.555  0.838  0.406  1.0
  O  O9  1  0.406  0.555  0.838  1.0
  O  O10  1  0.838  0.406  0.555  1.0
  O  O11  1  0.445  0.162  0.594  1.0
  O  O12  1  0.594  0.445  0.162  1.0
  O  O13  1  0.162  0.594  0.445  1.0
  O  O14  1  0.133  0.981  0.669  1.0
  O  O15  1  0.669  0.133  0.981  1.0
  O  O16  1  0.981  0.669  0.133  1.0
  O  O17  1  0.867  0.019  0.331  1.0
  O  O18  1  0.331  0.867  0.019  1.0
  O  O19  1  0.019  0.331  0.867  1.0
  O  O20  1  0.265  0.265  0.265  1.0
  O  O21  1  0.735  0.735  0.735  1.0
[/CIF]
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