The material described by Ni3Zn2O5 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 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(1)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra, corners with two equivalent Zn(1)O6 octahedra, edges with six equivalent Ni(2)O6 octahedra, and edges with six equivalent Zn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the second Ni site, Ni(2) 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 Ni(1)O6 octahedra, corners with two equivalent Zn(1)O6 octahedra, corners with three equivalent Ni(2)O6 octahedra, edges with three equivalent Ni(1)O6 octahedra, edges with three equivalent Ni(2)O6 octahedra, and edges with six equivalent Zn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. Zn(1) is bonded to one O(2), two equivalent O(3), and three equivalent O(1) atoms to form ZnO6 octahedra that share  a cornercorner with one Ni(1)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra, corners with three equivalent Zn(1)O6 octahedra, edges with three equivalent Ni(1)O6 octahedra, edges with three equivalent Zn(1)O6 octahedra, and edges with six equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Ni(1), two equivalent Ni(2), and three equivalent Zn(1) atoms to form OZn3Ni3 octahedra that share  a cornercorner with one O(2)Zn2Ni4 octahedra, corners with two equivalent O(3)Zn2Ni4 octahedra, corners with three equivalent O(1)Zn3Ni3 octahedra, edges with three equivalent O(2)Zn2Ni4 octahedra, edges with three equivalent O(1)Zn3Ni3 octahedra, and edges with six equivalent O(3)Zn2Ni4 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. 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(2)Zn2Ni4 octahedra, corners with two equivalent O(3)Zn2Ni4 octahedra, corners with two equivalent O(1)Zn3Ni3 octahedra, edges with six equivalent O(3)Zn2Ni4 octahedra, and edges with six equivalent O(1)Zn3Ni3 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the third O site, O(3) 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(2)Zn2Ni4 octahedra, corners with two equivalent O(1)Zn3Ni3 octahedra, corners with three equivalent O(3)Zn2Ni4 octahedra, edges with three equivalent O(2)Zn2Ni4 octahedra, edges with three equivalent O(3)Zn2Ni4 octahedra, and edges with six equivalent O(1)Zn3Ni3 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Zn2Ni3O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.215
_cell_length_b   5.215
_cell_length_c   6.732
_cell_angle_alpha   50.048
_cell_angle_beta   50.048
_cell_angle_gamma   48.224
_symmetry_Int_Tables_number   1
_cell_volume   97.034
_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  0.599  0.599  0.200  1.0
  Zn  Zn1  1  0.401  0.401  0.800  1.0
  Ni  Ni2  1  0.000  0.000  0.000  1.0
  Ni  Ni3  1  0.799  0.799  0.600  1.0
  Ni  Ni4  1  0.201  0.201  0.400  1.0
  O  O5  1  0.094  0.094  0.207  1.0
  O  O6  1  0.500  0.500  0.000  1.0
  O  O7  1  0.294  0.294  0.606  1.0
  O  O8  1  0.906  0.906  0.793  1.0
  O  O9  1  0.706  0.706  0.394  1.0
[/CIF]
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The material described by Ni3Zn2O5 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 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(1)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra, corners with two equivalent Zn(1)O6 octahedra, edges with six equivalent Ni(2)O6 octahedra, and edges with six equivalent Zn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the second Ni site, Ni(2) 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 Ni(1)O6 octahedra, corners with two equivalent Zn(1)O6 octahedra, corners with three equivalent Ni(2)O6 octahedra, edges with three equivalent Ni(1)O6 octahedra, edges with three equivalent Ni(2)O6 octahedra, and edges with six equivalent Zn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. Zn(1) is bonded to one O(2), two equivalent O(3), and three equivalent O(1) atoms to form ZnO6 octahedra that share  a cornercorner with one Ni(1)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra, corners with three equivalent Zn(1)O6 octahedra, edges with three equivalent Ni(1)O6 octahedra, edges with three equivalent Zn(1)O6 octahedra, and edges with six equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Ni(1), two equivalent Ni(2), and three equivalent Zn(1) atoms to form OZn3Ni3 octahedra that share  a cornercorner with one O(2)Zn2Ni4 octahedra, corners with two equivalent O(3)Zn2Ni4 octahedra, corners with three equivalent O(1)Zn3Ni3 octahedra, edges with three equivalent O(2)Zn2Ni4 octahedra, edges with three equivalent O(1)Zn3Ni3 octahedra, and edges with six equivalent O(3)Zn2Ni4 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. 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(2)Zn2Ni4 octahedra, corners with two equivalent O(3)Zn2Ni4 octahedra, corners with two equivalent O(1)Zn3Ni3 octahedra, edges with six equivalent O(3)Zn2Ni4 octahedra, and edges with six equivalent O(1)Zn3Ni3 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the third O site, O(3) 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(2)Zn2Ni4 octahedra, corners with two equivalent O(1)Zn3Ni3 octahedra, corners with three equivalent O(3)Zn2Ni4 octahedra, edges with three equivalent O(2)Zn2Ni4 octahedra, edges with three equivalent O(3)Zn2Ni4 octahedra, and edges with six equivalent O(1)Zn3Ni3 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Zn2Ni3O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.215
_cell_length_b   5.215
_cell_length_c   6.732
_cell_angle_alpha   50.048
_cell_angle_beta   50.048
_cell_angle_gamma   48.224
_symmetry_Int_Tables_number   1
_cell_volume   97.034
_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  0.599  0.599  0.200  1.0
  Zn  Zn1  1  0.401  0.401  0.800  1.0
  Ni  Ni2  1  0.000  0.000  0.000  1.0
  Ni  Ni3  1  0.799  0.799  0.600  1.0
  Ni  Ni4  1  0.201  0.201  0.400  1.0
  O  O5  1  0.094  0.094  0.207  1.0
  O  O6  1  0.500  0.500  0.000  1.0
  O  O7  1  0.294  0.294  0.606  1.0
  O  O8  1  0.906  0.906  0.793  1.0
  O  O9  1  0.706  0.706  0.394  1.0
[/CIF]
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