The compound described by Zn(NiO2)4 is beta indium sulfide-derived structured and crystallizes in the trigonal R-3m space group. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to six equivalent O(2) atoms to form NiO6 octahedra that share corners with six equivalent Zn(1)O6 octahedra and edges with six equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles are 15°. In the second Ni site, Ni(2) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form NiO6 octahedra that share edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Zn(1)O6 octahedra, and edges with four equivalent Ni(2)O6 octahedra. Zn(1) is bonded to six equivalent O(2) atoms to form distorted ZnO6 octahedra that share corners with six equivalent Ni(1)O6 octahedra and edges with six equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles are 15°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to three equivalent Ni(2) atoms. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Ni(1), two equivalent Ni(2), and one Zn(1) atom. is represented by the CIF card [CIF]
data_Zn(NiO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.705
_cell_length_b   5.705
_cell_length_c   6.007
_cell_angle_alpha   90.007
_cell_angle_beta   118.347
_cell_angle_gamma   119.994
_symmetry_Int_Tables_number   1
_cell_volume   141.591
_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
  Ni  Ni0  1  1.000  0.000  0.000  1.0
  Ni  Ni1  1  1.000  0.500  1.000  1.0
  Ni  Ni2  1  0.500  0.500  0.000  1.0
  Ni  Ni3  1  0.500  0.000  1.000  1.0
  O  O4  1  0.459  0.730  0.189  1.0
  O  O5  1  0.541  0.270  0.811  1.0
  O  O6  1  0.493  0.247  0.201  1.0
  O  O7  1  0.046  0.292  0.799  1.0
  O  O8  1  0.507  0.753  0.799  1.0
  O  O9  1  0.046  0.753  0.799  1.0
  O  O10  1  0.954  0.247  0.201  1.0
  O  O11  1  0.954  0.708  0.201  1.0
  Zn  Zn12  1  0.000  0.500  0.500  1.0
[/CIF]
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The compound described by Zn(NiO2)4 is beta indium sulfide-derived structured and crystallizes in the trigonal R-3m space group. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to six equivalent O(2) atoms to form NiO6 octahedra that share corners with six equivalent Zn(1)O6 octahedra and edges with six equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles are 15°. In the second Ni site, Ni(2) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form NiO6 octahedra that share edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Zn(1)O6 octahedra, and edges with four equivalent Ni(2)O6 octahedra. Zn(1) is bonded to six equivalent O(2) atoms to form distorted ZnO6 octahedra that share corners with six equivalent Ni(1)O6 octahedra and edges with six equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles are 15°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to three equivalent Ni(2) atoms. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Ni(1), two equivalent Ni(2), and one Zn(1) atom. is represented by the CIF card [CIF]
data_Zn(NiO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.705
_cell_length_b   5.705
_cell_length_c   6.007
_cell_angle_alpha   90.007
_cell_angle_beta   118.347
_cell_angle_gamma   119.994
_symmetry_Int_Tables_number   1
_cell_volume   141.591
_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
  Ni  Ni0  1  1.000  0.000  0.000  1.0
  Ni  Ni1  1  1.000  0.500  1.000  1.0
  Ni  Ni2  1  0.500  0.500  0.000  1.0
  Ni  Ni3  1  0.500  0.000  1.000  1.0
  O  O4  1  0.459  0.730  0.189  1.0
  O  O5  1  0.541  0.270  0.811  1.0
  O  O6  1  0.493  0.247  0.201  1.0
  O  O7  1  0.046  0.292  0.799  1.0
  O  O8  1  0.507  0.753  0.799  1.0
  O  O9  1  0.046  0.753  0.799  1.0
  O  O10  1  0.954  0.247  0.201  1.0
  O  O11  1  0.954  0.708  0.201  1.0
  Zn  Zn12  1  0.000  0.500  0.500  1.0
[/CIF]
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