The material structure described by Ni4ZnO5 is Caswellsilverite-like structured and crystallizes in the orthorhombic Immm space group. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form NiO6 octahedra that share corners with two equivalent Ni(2)O6 octahedra, corners with four equivalent Ni(1)O6 octahedra, edges with three equivalent Ni(1)O6 octahedra, edges with four equivalent Zn(1)O6 octahedra, and edges with five equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the second Ni site, Ni(2) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form NiO6 octahedra that share corners with two equivalent Ni(1)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra, corners with two equivalent Zn(1)O6 octahedra,  an edgeedge with one Zn(1)O6 octahedra, edges with five equivalent Ni(1)O6 octahedra, and edges with six equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. 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 Zn(1)O6 octahedra, corners with four equivalent Ni(2)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, edges with two equivalent Zn(1)O6 octahedra, and edges with eight equivalent Ni(1)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(1) and four equivalent Ni(2) atoms to form ONi6 octahedra that share corners with two equivalent O(1)Ni6 octahedra, corners with two equivalent O(2)Zn2Ni4 octahedra, corners with two equivalent O(3)Zn2Ni4 octahedra,  an edgeedge with one O(3)Zn2Ni4 octahedra, edges with five equivalent O(2)Zn2Ni4 octahedra, and edges with six equivalent O(1)Ni6 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the second O site, O(2) is bonded to two equivalent Ni(1), two equivalent Ni(2), and two equivalent Zn(1) atoms to form OZn2Ni4 octahedra that share corners with two equivalent O(1)Ni6 octahedra, corners with four equivalent O(2)Zn2Ni4 octahedra, edges with three equivalent O(2)Zn2Ni4 octahedra, edges with four equivalent O(3)Zn2Ni4 octahedra, and edges with five equivalent O(1)Ni6 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the third O site, O(3) is bonded to four equivalent Ni(1) and two equivalent Zn(1) atoms to form OZn2Ni4 octahedra that share corners with two equivalent O(3)Zn2Ni4 octahedra, corners with four equivalent O(1)Ni6 octahedra, edges with two equivalent O(1)Ni6 octahedra, edges with two equivalent O(3)Zn2Ni4 octahedra, and edges with eight equivalent O(2)Zn2Ni4 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. is represented by the CIF file [CIF]
data_ZnNi4O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.951
_cell_length_b   7.951
_cell_length_c   7.951
_cell_angle_alpha   158.213
_cell_angle_beta   149.031
_cell_angle_gamma   38.185
_symmetry_Int_Tables_number   1
_cell_volume   95.849
_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  0.601  0.601  0.000  1.0
  Ni  Ni2  1  0.201  0.201  0.000  1.0
  Ni  Ni3  1  0.799  0.799  0.000  1.0
  Ni  Ni4  1  0.399  0.399  0.000  1.0
  O  O5  1  0.300  0.800  0.500  1.0
  O  O6  1  0.898  0.398  0.500  1.0
  O  O7  1  0.500  0.000  0.500  1.0
  O  O8  1  0.102  0.602  0.500  1.0
  O  O9  1  0.700  0.200  0.500  1.0
[/CIF]
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The material structure described by Ni4ZnO5 is Caswellsilverite-like structured and crystallizes in the orthorhombic Immm space group. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form NiO6 octahedra that share corners with two equivalent Ni(2)O6 octahedra, corners with four equivalent Ni(1)O6 octahedra, edges with three equivalent Ni(1)O6 octahedra, edges with four equivalent Zn(1)O6 octahedra, and edges with five equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the second Ni site, Ni(2) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form NiO6 octahedra that share corners with two equivalent Ni(1)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra, corners with two equivalent Zn(1)O6 octahedra,  an edgeedge with one Zn(1)O6 octahedra, edges with five equivalent Ni(1)O6 octahedra, and edges with six equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. 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 Zn(1)O6 octahedra, corners with four equivalent Ni(2)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, edges with two equivalent Zn(1)O6 octahedra, and edges with eight equivalent Ni(1)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(1) and four equivalent Ni(2) atoms to form ONi6 octahedra that share corners with two equivalent O(1)Ni6 octahedra, corners with two equivalent O(2)Zn2Ni4 octahedra, corners with two equivalent O(3)Zn2Ni4 octahedra,  an edgeedge with one O(3)Zn2Ni4 octahedra, edges with five equivalent O(2)Zn2Ni4 octahedra, and edges with six equivalent O(1)Ni6 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the second O site, O(2) is bonded to two equivalent Ni(1), two equivalent Ni(2), and two equivalent Zn(1) atoms to form OZn2Ni4 octahedra that share corners with two equivalent O(1)Ni6 octahedra, corners with four equivalent O(2)Zn2Ni4 octahedra, edges with three equivalent O(2)Zn2Ni4 octahedra, edges with four equivalent O(3)Zn2Ni4 octahedra, and edges with five equivalent O(1)Ni6 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the third O site, O(3) is bonded to four equivalent Ni(1) and two equivalent Zn(1) atoms to form OZn2Ni4 octahedra that share corners with two equivalent O(3)Zn2Ni4 octahedra, corners with four equivalent O(1)Ni6 octahedra, edges with two equivalent O(1)Ni6 octahedra, edges with two equivalent O(3)Zn2Ni4 octahedra, and edges with eight equivalent O(2)Zn2Ni4 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. is represented by the CIF file [CIF]
data_ZnNi4O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.951
_cell_length_b   7.951
_cell_length_c   7.951
_cell_angle_alpha   158.213
_cell_angle_beta   149.031
_cell_angle_gamma   38.185
_symmetry_Int_Tables_number   1
_cell_volume   95.849
_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  0.601  0.601  0.000  1.0
  Ni  Ni2  1  0.201  0.201  0.000  1.0
  Ni  Ni3  1  0.799  0.799  0.000  1.0
  Ni  Ni4  1  0.399  0.399  0.000  1.0
  O  O5  1  0.300  0.800  0.500  1.0
  O  O6  1  0.898  0.398  0.500  1.0
  O  O7  1  0.500  0.000  0.500  1.0
  O  O8  1  0.102  0.602  0.500  1.0
  O  O9  1  0.700  0.200  0.500  1.0
[/CIF]
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