The structure described by Cr4NiZnO8 is Spinel-derived structured and crystallizes in the cubic F-43m space group. Cr(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form CrO6 octahedra that share corners with three equivalent Ni(1)O4 tetrahedra, corners with three equivalent Zn(1)O4 tetrahedra, and edges with six equivalent Cr(1)O6 octahedra. Ni(1) is bonded to four equivalent O(2) atoms to form NiO4 tetrahedra that share corners with twelve equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles are 58°. Zn(1) is bonded to four equivalent O(1) atoms to form ZnO4 tetrahedra that share corners with twelve equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles are 59°. There are two inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Cr(1) and one Zn(1) atom to form distorted OZnCr3 trigonal pyramids that share corners with three equivalent O(1)ZnCr3 trigonal pyramids, corners with nine equivalent O(2)Cr3Ni trigonal pyramids, and edges with three equivalent O(1)ZnCr3 trigonal pyramids. In the second O site, O(2) is bonded to three equivalent Cr(1) and one Ni(1) atom to form distorted OCr3Ni trigonal pyramids that share corners with three equivalent O(2)Cr3Ni trigonal pyramids, corners with nine equivalent O(1)ZnCr3 trigonal pyramids, and edges with three equivalent O(2)Cr3Ni trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_ZnCr4NiO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.986
_cell_length_b   5.986
_cell_length_c   5.986
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   151.687
_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  0.000  0.000  0.000  1.0
  Cr  Cr1  1  0.625  0.625  0.125  1.0
  Cr  Cr2  1  0.625  0.125  0.625  1.0
  Cr  Cr3  1  0.125  0.625  0.625  1.0
  Cr  Cr4  1  0.625  0.625  0.625  1.0
  Ni  Ni5  1  0.250  0.250  0.250  1.0
  O  O6  1  0.864  0.864  0.409  1.0
  O  O7  1  0.864  0.409  0.864  1.0
  O  O8  1  0.409  0.864  0.864  1.0
  O  O9  1  0.864  0.864  0.864  1.0
  O  O10  1  0.385  0.385  0.844  1.0
  O  O11  1  0.385  0.844  0.385  1.0
  O  O12  1  0.844  0.385  0.385  1.0
  O  O13  1  0.385  0.385  0.385  1.0
[/CIF]
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The structure described by Cr4NiZnO8 is Spinel-derived structured and crystallizes in the cubic F-43m space group. Cr(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form CrO6 octahedra that share corners with three equivalent Ni(1)O4 tetrahedra, corners with three equivalent Zn(1)O4 tetrahedra, and edges with six equivalent Cr(1)O6 octahedra. Ni(1) is bonded to four equivalent O(2) atoms to form NiO4 tetrahedra that share corners with twelve equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles are 58°. Zn(1) is bonded to four equivalent O(1) atoms to form ZnO4 tetrahedra that share corners with twelve equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles are 59°. There are two inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Cr(1) and one Zn(1) atom to form distorted OZnCr3 trigonal pyramids that share corners with three equivalent O(1)ZnCr3 trigonal pyramids, corners with nine equivalent O(2)Cr3Ni trigonal pyramids, and edges with three equivalent O(1)ZnCr3 trigonal pyramids. In the second O site, O(2) is bonded to three equivalent Cr(1) and one Ni(1) atom to form distorted OCr3Ni trigonal pyramids that share corners with three equivalent O(2)Cr3Ni trigonal pyramids, corners with nine equivalent O(1)ZnCr3 trigonal pyramids, and edges with three equivalent O(2)Cr3Ni trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_ZnCr4NiO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.986
_cell_length_b   5.986
_cell_length_c   5.986
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   151.687
_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  0.000  0.000  0.000  1.0
  Cr  Cr1  1  0.625  0.625  0.125  1.0
  Cr  Cr2  1  0.625  0.125  0.625  1.0
  Cr  Cr3  1  0.125  0.625  0.625  1.0
  Cr  Cr4  1  0.625  0.625  0.625  1.0
  Ni  Ni5  1  0.250  0.250  0.250  1.0
  O  O6  1  0.864  0.864  0.409  1.0
  O  O7  1  0.864  0.409  0.864  1.0
  O  O8  1  0.409  0.864  0.864  1.0
  O  O9  1  0.864  0.864  0.864  1.0
  O  O10  1  0.385  0.385  0.844  1.0
  O  O11  1  0.385  0.844  0.385  1.0
  O  O12  1  0.844  0.385  0.385  1.0
  O  O13  1  0.385  0.385  0.385  1.0
[/CIF]
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