The material described by NiZnO2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. Ni(1) is bonded to six equivalent O(1) atoms to form NiO6 octahedra that share corners with six equivalent Zn(1)O6 octahedra, edges with six equivalent Ni(1)O6 octahedra, and edges with six equivalent Zn(1)O6 octahedra. The corner-sharing octahedral tilt angles are 1°. Zn(1) is bonded to six equivalent O(1) atoms to form ZnO6 octahedra that share corners with six equivalent Ni(1)O6 octahedra, edges with six equivalent Ni(1)O6 octahedra, and edges with six equivalent Zn(1)O6 octahedra. The corner-sharing octahedral tilt angles are 1°. O(1) is bonded to three equivalent Ni(1) and three equivalent Zn(1) atoms to form a mixture of corner and edge-sharing OZn3Ni3 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF card [CIF]
data_ZnNiO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.023
_cell_length_b   3.023
_cell_length_c   5.233
_cell_angle_alpha   73.214
_cell_angle_beta   73.214
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   39.045
_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
  Ni  Ni0  1  0.000  0.000  0.000  1.0
  O  O1  1  0.748  0.748  0.755  1.0
  O  O2  1  0.252  0.252  0.245  1.0
  Zn  Zn3  1  0.500  0.500  0.500  1.0
[/CIF]
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The material described by NiZnO2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. Ni(1) is bonded to six equivalent O(1) atoms to form NiO6 octahedra that share corners with six equivalent Zn(1)O6 octahedra, edges with six equivalent Ni(1)O6 octahedra, and edges with six equivalent Zn(1)O6 octahedra. The corner-sharing octahedral tilt angles are 1°. Zn(1) is bonded to six equivalent O(1) atoms to form ZnO6 octahedra that share corners with six equivalent Ni(1)O6 octahedra, edges with six equivalent Ni(1)O6 octahedra, and edges with six equivalent Zn(1)O6 octahedra. The corner-sharing octahedral tilt angles are 1°. O(1) is bonded to three equivalent Ni(1) and three equivalent Zn(1) atoms to form a mixture of corner and edge-sharing OZn3Ni3 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF card [CIF]
data_ZnNiO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.023
_cell_length_b   3.023
_cell_length_c   5.233
_cell_angle_alpha   73.214
_cell_angle_beta   73.214
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   39.045
_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
  Ni  Ni0  1  0.000  0.000  0.000  1.0
  O  O1  1  0.748  0.748  0.755  1.0
  O  O2  1  0.252  0.252  0.245  1.0
  Zn  Zn3  1  0.500  0.500  0.500  1.0
[/CIF]
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