The material structure described by Ni4CuO5 is Caswellsilverite-like structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(1), one O(2), and four equivalent O(3) atoms to form NiO6 octahedra that share  a cornercorner with one Ni(2)O6 octahedra, corners with five equivalent Ni(1)O6 octahedra, edges with four equivalent Ni(1)O6 octahedra, edges with four equivalent Ni(2)O6 octahedra, and edges with four equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the second Ni site, Ni(2) is bonded to one O(3) and five equivalent O(2) atoms to form NiO6 octahedra that share  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Cu(1)O6 octahedra, corners with four equivalent Ni(2)O6 octahedra, edges with four equivalent Ni(1)O6 octahedra, and edges with eight equivalent Ni(2)O6 octahedra. The corner-sharing octahedra are not tilted. Cu(1) is bonded to two equivalent O(3) and four equivalent O(1) atoms to form CuO6 octahedra that share corners with two equivalent Ni(2)O6 octahedra, corners with four equivalent Cu(1)O6 octahedra, edges with four equivalent Cu(1)O6 octahedra, and edges with eight equivalent Ni(1)O6 octahedra. The corner-sharing octahedra are not tilted. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ni(1) and four equivalent Cu(1) atoms to form OCu4Ni2 octahedra that share corners with two equivalent O(2)Ni6 octahedra, corners with four equivalent O(1)Cu4Ni2 octahedra, edges with four equivalent O(1)Cu4Ni2 octahedra, and edges with eight equivalent O(3)CuNi5 octahedra. The corner-sharing octahedra are not tilted. In the second O site, O(2) is bonded to one Ni(1) and five equivalent Ni(2) atoms to form ONi6 octahedra that share  a cornercorner with one O(1)Cu4Ni2 octahedra,  a cornercorner with one O(3)CuNi5 octahedra, corners with four equivalent O(2)Ni6 octahedra, edges with four equivalent O(3)CuNi5 octahedra, and edges with eight equivalent O(2)Ni6 octahedra. The corner-sharing octahedra are not tilted. In the third O site, O(3) is bonded to one Ni(2), four equivalent Ni(1), and one Cu(1) atom to form OCuNi5 octahedra that share  a cornercorner with one O(2)Ni6 octahedra, corners with five equivalent O(3)CuNi5 octahedra, edges with four equivalent O(1)Cu4Ni2 octahedra, edges with four equivalent O(3)CuNi5 octahedra, and edges with four equivalent O(2)Ni6 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. is represented by the Crystallographic Information File (CIF) [CIF]
data_CuNi4O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.811
_cell_length_b   10.811
_cell_length_c   10.811
_cell_angle_alpha   164.085
_cell_angle_beta   164.085
_cell_angle_gamma   22.580
_symmetry_Int_Tables_number   1
_cell_volume   94.992
_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
  Cu  Cu0  1  0.000  0.000  0.000  1.0
  Ni  Ni1  1  0.400  0.400  0.000  1.0
  Ni  Ni2  1  0.800  0.800  0.000  1.0
  Ni  Ni3  1  0.200  0.200  0.000  1.0
  Ni  Ni4  1  0.600  0.600  0.000  1.0
  O  O5  1  0.500  0.500  0.000  1.0
  O  O6  1  0.700  0.700  0.000  1.0
  O  O7  1  0.101  0.101  0.000  1.0
  O  O8  1  0.899  0.899  0.000  1.0
  O  O9  1  0.300  0.300  0.000  1.0
[/CIF]
.
The material structure described by Ni4CuO5 is Caswellsilverite-like structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(1), one O(2), and four equivalent O(3) atoms to form NiO6 octahedra that share  a cornercorner with one Ni(2)O6 octahedra, corners with five equivalent Ni(1)O6 octahedra, edges with four equivalent Ni(1)O6 octahedra, edges with four equivalent Ni(2)O6 octahedra, and edges with four equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the second Ni site, Ni(2) is bonded to one O(3) and five equivalent O(2) atoms to form NiO6 octahedra that share  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Cu(1)O6 octahedra, corners with four equivalent Ni(2)O6 octahedra, edges with four equivalent Ni(1)O6 octahedra, and edges with eight equivalent Ni(2)O6 octahedra. The corner-sharing octahedra are not tilted. Cu(1) is bonded to two equivalent O(3) and four equivalent O(1) atoms to form CuO6 octahedra that share corners with two equivalent Ni(2)O6 octahedra, corners with four equivalent Cu(1)O6 octahedra, edges with four equivalent Cu(1)O6 octahedra, and edges with eight equivalent Ni(1)O6 octahedra. The corner-sharing octahedra are not tilted. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ni(1) and four equivalent Cu(1) atoms to form OCu4Ni2 octahedra that share corners with two equivalent O(2)Ni6 octahedra, corners with four equivalent O(1)Cu4Ni2 octahedra, edges with four equivalent O(1)Cu4Ni2 octahedra, and edges with eight equivalent O(3)CuNi5 octahedra. The corner-sharing octahedra are not tilted. In the second O site, O(2) is bonded to one Ni(1) and five equivalent Ni(2) atoms to form ONi6 octahedra that share  a cornercorner with one O(1)Cu4Ni2 octahedra,  a cornercorner with one O(3)CuNi5 octahedra, corners with four equivalent O(2)Ni6 octahedra, edges with four equivalent O(3)CuNi5 octahedra, and edges with eight equivalent O(2)Ni6 octahedra. The corner-sharing octahedra are not tilted. In the third O site, O(3) is bonded to one Ni(2), four equivalent Ni(1), and one Cu(1) atom to form OCuNi5 octahedra that share  a cornercorner with one O(2)Ni6 octahedra, corners with five equivalent O(3)CuNi5 octahedra, edges with four equivalent O(1)Cu4Ni2 octahedra, edges with four equivalent O(3)CuNi5 octahedra, and edges with four equivalent O(2)Ni6 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. is represented by the Crystallographic Information File (CIF) [CIF]
data_CuNi4O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.811
_cell_length_b   10.811
_cell_length_c   10.811
_cell_angle_alpha   164.085
_cell_angle_beta   164.085
_cell_angle_gamma   22.580
_symmetry_Int_Tables_number   1
_cell_volume   94.992
_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
  Cu  Cu0  1  0.000  0.000  0.000  1.0
  Ni  Ni1  1  0.400  0.400  0.000  1.0
  Ni  Ni2  1  0.800  0.800  0.000  1.0
  Ni  Ni3  1  0.200  0.200  0.000  1.0
  Ni  Ni4  1  0.600  0.600  0.000  1.0
  O  O5  1  0.500  0.500  0.000  1.0
  O  O6  1  0.700  0.700  0.000  1.0
  O  O7  1  0.101  0.101  0.000  1.0
  O  O8  1  0.899  0.899  0.000  1.0
  O  O9  1  0.300  0.300  0.000  1.0
[/CIF]
.