The material structure described by Cr4ZnO8 crystallizes in the trigonal R-3m space group. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form CrO6 octahedra that share edges with two equivalent Cr(2)O6 octahedra, edges with two equivalent Zn(1)O6 octahedra, and edges with four equivalent Cr(1)O6 octahedra. In the second Cr site, Cr(2) is bonded to six equivalent O(1) atoms to form CrO6 octahedra that share corners with six equivalent Zn(1)O6 octahedra and edges with six equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles are 11°. Zn(1) is bonded to six equivalent O(1) atoms to form ZnO6 octahedra that share corners with six equivalent Cr(2)O6 octahedra and edges with six equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles are 11°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Cr(2), two equivalent Cr(1), and one Zn(1) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Cr(1) atoms. is represented by the CIF file [CIF]
data_ZnCr4O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.044
_cell_length_b   6.044
_cell_length_c   6.044
_cell_angle_alpha   58.695
_cell_angle_beta   58.695
_cell_angle_gamma   58.695
_symmetry_Int_Tables_number   1
_cell_volume   151.490
_cell_formula_units_Z   1
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
  Zn  Zn0  1  0.500  0.500  0.500  1.0
  Cr  Cr1  1  0.500  1.000  0.500  1.0
  Cr  Cr2  1  1.000  0.500  0.500  1.0
  Cr  Cr3  1  0.500  0.500  0.000  1.0
  Cr  Cr4  1  0.000  0.000  0.000  1.0
  O  O5  1  0.758  0.275  0.758  1.0
  O  O6  1  0.242  0.242  0.725  1.0
  O  O7  1  0.242  0.725  0.242  1.0
  O  O8  1  0.725  0.242  0.242  1.0
  O  O9  1  0.272  0.272  0.272  1.0
  O  O10  1  0.728  0.728  0.728  1.0
  O  O11  1  0.275  0.758  0.758  1.0
  O  O12  1  0.758  0.758  0.275  1.0
[/CIF]
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The material structure described by Cr4ZnO8 crystallizes in the trigonal R-3m space group. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form CrO6 octahedra that share edges with two equivalent Cr(2)O6 octahedra, edges with two equivalent Zn(1)O6 octahedra, and edges with four equivalent Cr(1)O6 octahedra. In the second Cr site, Cr(2) is bonded to six equivalent O(1) atoms to form CrO6 octahedra that share corners with six equivalent Zn(1)O6 octahedra and edges with six equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles are 11°. Zn(1) is bonded to six equivalent O(1) atoms to form ZnO6 octahedra that share corners with six equivalent Cr(2)O6 octahedra and edges with six equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles are 11°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Cr(2), two equivalent Cr(1), and one Zn(1) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Cr(1) atoms. is represented by the CIF file [CIF]
data_ZnCr4O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.044
_cell_length_b   6.044
_cell_length_c   6.044
_cell_angle_alpha   58.695
_cell_angle_beta   58.695
_cell_angle_gamma   58.695
_symmetry_Int_Tables_number   1
_cell_volume   151.490
_cell_formula_units_Z   1
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
  Zn  Zn0  1  0.500  0.500  0.500  1.0
  Cr  Cr1  1  0.500  1.000  0.500  1.0
  Cr  Cr2  1  1.000  0.500  0.500  1.0
  Cr  Cr3  1  0.500  0.500  0.000  1.0
  Cr  Cr4  1  0.000  0.000  0.000  1.0
  O  O5  1  0.758  0.275  0.758  1.0
  O  O6  1  0.242  0.242  0.725  1.0
  O  O7  1  0.242  0.725  0.242  1.0
  O  O8  1  0.725  0.242  0.242  1.0
  O  O9  1  0.272  0.272  0.272  1.0
  O  O10  1  0.728  0.728  0.728  1.0
  O  O11  1  0.275  0.758  0.758  1.0
  O  O12  1  0.758  0.758  0.275  1.0
[/CIF]
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