The structure described by Ni4ZnO5 is Caswellsilverite-like structured and crystallizes in the monoclinic C2/m space group. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(2), two equivalent O(1), and three equivalent O(3) atoms to form NiO6 octahedra that share  a cornercorner with one Zn(1)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra, corners with three equivalent Ni(2)O6 octahedra, edges with two equivalent Zn(1)O6 octahedra, edges with five equivalent Ni(1)O6 octahedra, and edges with five equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the second Ni site, Ni(2) is bonded to one O(1), two equivalent O(3), and three equivalent O(2) atoms to form NiO6 octahedra that share  a cornercorner with one Ni(2)O6 octahedra, corners with two equivalent Zn(1)O6 octahedra, corners with three equivalent Ni(1)O6 octahedra, edges with three equivalent Zn(1)O6 octahedra, edges with four equivalent Ni(2)O6 octahedra, and edges with five equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. Zn(1) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form ZnO6 octahedra that share corners with two equivalent Ni(1)O6 octahedra, corners with four equivalent Ni(2)O6 octahedra, edges with two equivalent Zn(1)O6 octahedra, edges with four equivalent Ni(1)O6 octahedra, and edges with six equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ni(2) and four equivalent Ni(1) atoms to form ONi6 octahedra that share corners with two equivalent O(2)Zn2Ni4 octahedra, corners with four equivalent O(3)ZnNi5 octahedra, edges with two equivalent O(1)Ni6 octahedra, edges with four equivalent O(2)Zn2Ni4 octahedra, and edges with six equivalent O(3)ZnNi5 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the second O site, O(2) is bonded to one Ni(1), three equivalent Ni(2), and two equivalent Zn(1) atoms to form OZn2Ni4 octahedra that share  a cornercorner with one O(1)Ni6 octahedra, corners with two equivalent O(2)Zn2Ni4 octahedra, corners with three equivalent O(3)ZnNi5 octahedra, edges with two equivalent O(1)Ni6 octahedra, edges with five equivalent O(2)Zn2Ni4 octahedra, and edges with five equivalent O(3)ZnNi5 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the third O site, O(3) is bonded to two equivalent Ni(2), three equivalent Ni(1), and one Zn(1) atom to form OZnNi5 octahedra that share  a cornercorner with one O(3)ZnNi5 octahedra, corners with two equivalent O(1)Ni6 octahedra, corners with three equivalent O(2)Zn2Ni4 octahedra, edges with three equivalent O(1)Ni6 octahedra, edges with four equivalent O(3)ZnNi5 octahedra, and edges with five equivalent O(2)Zn2Ni4 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. is represented by the CIF card [CIF]
data_ZnNi4O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.202
_cell_length_b   5.202
_cell_length_c   7.357
_cell_angle_alpha   61.865
_cell_angle_beta   61.865
_cell_angle_gamma   33.559
_symmetry_Int_Tables_number   1
_cell_volume   95.777
_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
  Ni  Ni1  1  0.600  0.600  0.599  1.0
  Ni  Ni2  1  0.200  0.200  0.201  1.0
  Ni  Ni3  1  0.800  0.800  0.799  1.0
  Ni  Ni4  1  0.400  0.400  0.401  1.0
  O  O5  1  0.000  0.000  0.500  1.0
  O  O6  1  0.602  0.602  0.102  1.0
  O  O7  1  0.201  0.201  0.697  1.0
  O  O8  1  0.799  0.799  0.303  1.0
  O  O9  1  0.398  0.398  0.898  1.0
[/CIF]
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The structure described by Ni4ZnO5 is Caswellsilverite-like structured and crystallizes in the monoclinic C2/m space group. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(2), two equivalent O(1), and three equivalent O(3) atoms to form NiO6 octahedra that share  a cornercorner with one Zn(1)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra, corners with three equivalent Ni(2)O6 octahedra, edges with two equivalent Zn(1)O6 octahedra, edges with five equivalent Ni(1)O6 octahedra, and edges with five equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the second Ni site, Ni(2) is bonded to one O(1), two equivalent O(3), and three equivalent O(2) atoms to form NiO6 octahedra that share  a cornercorner with one Ni(2)O6 octahedra, corners with two equivalent Zn(1)O6 octahedra, corners with three equivalent Ni(1)O6 octahedra, edges with three equivalent Zn(1)O6 octahedra, edges with four equivalent Ni(2)O6 octahedra, and edges with five equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. Zn(1) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form ZnO6 octahedra that share corners with two equivalent Ni(1)O6 octahedra, corners with four equivalent Ni(2)O6 octahedra, edges with two equivalent Zn(1)O6 octahedra, edges with four equivalent Ni(1)O6 octahedra, and edges with six equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ni(2) and four equivalent Ni(1) atoms to form ONi6 octahedra that share corners with two equivalent O(2)Zn2Ni4 octahedra, corners with four equivalent O(3)ZnNi5 octahedra, edges with two equivalent O(1)Ni6 octahedra, edges with four equivalent O(2)Zn2Ni4 octahedra, and edges with six equivalent O(3)ZnNi5 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the second O site, O(2) is bonded to one Ni(1), three equivalent Ni(2), and two equivalent Zn(1) atoms to form OZn2Ni4 octahedra that share  a cornercorner with one O(1)Ni6 octahedra, corners with two equivalent O(2)Zn2Ni4 octahedra, corners with three equivalent O(3)ZnNi5 octahedra, edges with two equivalent O(1)Ni6 octahedra, edges with five equivalent O(2)Zn2Ni4 octahedra, and edges with five equivalent O(3)ZnNi5 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the third O site, O(3) is bonded to two equivalent Ni(2), three equivalent Ni(1), and one Zn(1) atom to form OZnNi5 octahedra that share  a cornercorner with one O(3)ZnNi5 octahedra, corners with two equivalent O(1)Ni6 octahedra, corners with three equivalent O(2)Zn2Ni4 octahedra, edges with three equivalent O(1)Ni6 octahedra, edges with four equivalent O(3)ZnNi5 octahedra, and edges with five equivalent O(2)Zn2Ni4 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. is represented by the CIF card [CIF]
data_ZnNi4O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.202
_cell_length_b   5.202
_cell_length_c   7.357
_cell_angle_alpha   61.865
_cell_angle_beta   61.865
_cell_angle_gamma   33.559
_symmetry_Int_Tables_number   1
_cell_volume   95.777
_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
  Ni  Ni1  1  0.600  0.600  0.599  1.0
  Ni  Ni2  1  0.200  0.200  0.201  1.0
  Ni  Ni3  1  0.800  0.800  0.799  1.0
  Ni  Ni4  1  0.400  0.400  0.401  1.0
  O  O5  1  0.000  0.000  0.500  1.0
  O  O6  1  0.602  0.602  0.102  1.0
  O  O7  1  0.201  0.201  0.697  1.0
  O  O8  1  0.799  0.799  0.303  1.0
  O  O9  1  0.398  0.398  0.898  1.0
[/CIF]
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