The structure described by Ni4ZnO5 is Caswellsilverite-like structured and crystallizes in the tetragonal I4/m space group. Ni(1) is bonded to one O(1) and five O(2,2) atoms to form NiO6 octahedra that share  a cornercorner with one Zn(1)O6 octahedra, corners with five equivalent Ni(1)O6 octahedra, edges with three equivalent Zn(1)O6 octahedra, and edges with nine equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. Zn(1) is bonded to two equivalent O(1) and four O(2,2) atoms to form ZnO6 octahedra that share corners with two equivalent Zn(1)O6 octahedra, corners with four equivalent Ni(1)O6 octahedra, and edges with twelve equivalent Ni(1)O6 octahedra. The corner-sharing octahedra are not tilted. There are four inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Ni(1) and two equivalent Zn(1) atoms to form OZn2Ni4 octahedra that share corners with two equivalent O(1)Zn2Ni4 octahedra; corners with four O(2,2)ZnNi5 octahedra; and edges with twelve O(2,2,2)ZnNi5 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the second O site, O(2) is bonded to five equivalent Ni(1) and one Zn(1) atom to form OZnNi5 octahedra that share  a cornercorner with one O(1)Zn2Ni4 octahedra; corners with five O(2,2)ZnNi5 octahedra; edges with three equivalent O(1)Zn2Ni4 octahedra; and edges with nine O(2,2,2)ZnNi5 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the third O site, O(2) is bonded to five equivalent Ni(1) and one Zn(1) atom to form OZnNi5 octahedra that share  a cornercorner with one O(1)Zn2Ni4 octahedra; corners with five O(2,2)ZnNi5 octahedra; edges with three equivalent O(1)Zn2Ni4 octahedra; and edges with nine O(2,2,2)ZnNi5 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the fourth O site, O(2) is bonded to five equivalent Ni(1) and one Zn(1) atom to form OZnNi5 octahedra that share  a cornercorner with one O(1)Zn2Ni4 octahedra; corners with five O(2,2)ZnNi5 octahedra; edges with three equivalent O(1)Zn2Ni4 octahedra; and edges with nine O(2,2,2)ZnNi5 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. is represented by the Crystallographic Information File (CIF) [CIF]
data_ZnNi4O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.252
_cell_length_b   5.209
_cell_length_c   5.208
_cell_angle_alpha   80.449
_cell_angle_beta   65.908
_cell_angle_gamma   65.913
_symmetry_Int_Tables_number   1
_cell_volume   96.119
_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  1.000  0.000  0.000  1.0
  Ni  Ni1  1  0.600  0.600  0.200  1.0
  Ni  Ni2  1  0.800  0.800  0.599  1.0
  Ni  Ni3  1  0.200  0.200  0.401  1.0
  Ni  Ni4  1  0.400  0.400  0.800  1.0
  O  O5  1  0.500  1.000  0.000  1.0
  O  O6  1  0.898  0.405  0.798  1.0
  O  O7  1  0.102  0.595  0.202  1.0
  O  O8  1  0.303  0.798  0.595  1.0
  O  O9  1  0.697  0.202  0.405  1.0
[/CIF]
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The structure described by Ni4ZnO5 is Caswellsilverite-like structured and crystallizes in the tetragonal I4/m space group. Ni(1) is bonded to one O(1) and five O(2,2) atoms to form NiO6 octahedra that share  a cornercorner with one Zn(1)O6 octahedra, corners with five equivalent Ni(1)O6 octahedra, edges with three equivalent Zn(1)O6 octahedra, and edges with nine equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. Zn(1) is bonded to two equivalent O(1) and four O(2,2) atoms to form ZnO6 octahedra that share corners with two equivalent Zn(1)O6 octahedra, corners with four equivalent Ni(1)O6 octahedra, and edges with twelve equivalent Ni(1)O6 octahedra. The corner-sharing octahedra are not tilted. There are four inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Ni(1) and two equivalent Zn(1) atoms to form OZn2Ni4 octahedra that share corners with two equivalent O(1)Zn2Ni4 octahedra; corners with four O(2,2)ZnNi5 octahedra; and edges with twelve O(2,2,2)ZnNi5 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the second O site, O(2) is bonded to five equivalent Ni(1) and one Zn(1) atom to form OZnNi5 octahedra that share  a cornercorner with one O(1)Zn2Ni4 octahedra; corners with five O(2,2)ZnNi5 octahedra; edges with three equivalent O(1)Zn2Ni4 octahedra; and edges with nine O(2,2,2)ZnNi5 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the third O site, O(2) is bonded to five equivalent Ni(1) and one Zn(1) atom to form OZnNi5 octahedra that share  a cornercorner with one O(1)Zn2Ni4 octahedra; corners with five O(2,2)ZnNi5 octahedra; edges with three equivalent O(1)Zn2Ni4 octahedra; and edges with nine O(2,2,2)ZnNi5 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the fourth O site, O(2) is bonded to five equivalent Ni(1) and one Zn(1) atom to form OZnNi5 octahedra that share  a cornercorner with one O(1)Zn2Ni4 octahedra; corners with five O(2,2)ZnNi5 octahedra; edges with three equivalent O(1)Zn2Ni4 octahedra; and edges with nine O(2,2,2)ZnNi5 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. is represented by the Crystallographic Information File (CIF) [CIF]
data_ZnNi4O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.252
_cell_length_b   5.209
_cell_length_c   5.208
_cell_angle_alpha   80.449
_cell_angle_beta   65.908
_cell_angle_gamma   65.913
_symmetry_Int_Tables_number   1
_cell_volume   96.119
_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  1.000  0.000  0.000  1.0
  Ni  Ni1  1  0.600  0.600  0.200  1.0
  Ni  Ni2  1  0.800  0.800  0.599  1.0
  Ni  Ni3  1  0.200  0.200  0.401  1.0
  Ni  Ni4  1  0.400  0.400  0.800  1.0
  O  O5  1  0.500  1.000  0.000  1.0
  O  O6  1  0.898  0.405  0.798  1.0
  O  O7  1  0.102  0.595  0.202  1.0
  O  O8  1  0.303  0.798  0.595  1.0
  O  O9  1  0.697  0.202  0.405  1.0
[/CIF]
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