The material described by Zn(NiO2)2 is Spinel-like structured and crystallizes in the orthorhombic Imma space group. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form NiO4 tetrahedra that share corners with six equivalent Ni(2)O6 octahedra and corners with six equivalent Zn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-58°. 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 corners with six equivalent Ni(1)O4 tetrahedra, edges with two equivalent Ni(2)O6 octahedra, and edges with four equivalent Zn(1)O6 octahedra. Zn(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form ZnO6 octahedra that share corners with six equivalent Ni(1)O4 tetrahedra, edges with two equivalent Zn(1)O6 octahedra, and edges with four equivalent Ni(2)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Ni(1), one Ni(2), and two equivalent Zn(1) 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 Crystallographic Information File (CIF) [CIF]
data_Zn(NiO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.895
_cell_length_b   5.895
_cell_length_c   5.895
_cell_angle_alpha   119.632
_cell_angle_beta   119.274
_cell_angle_gamma   90.950
_symmetry_Int_Tables_number   1
_cell_volume   146.009
_cell_formula_units_Z   2
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  0.500  0.000  0.000  1.0
  Zn  Zn1  1  0.500  0.500  0.500  1.0
  Ni  Ni2  1  0.881  0.131  0.750  1.0
  Ni  Ni3  1  0.119  0.869  0.250  1.0
  Ni  Ni4  1  0.500  0.500  0.000  1.0
  Ni  Ni5  1  0.000  0.500  0.500  1.0
  O  O6  1  0.729  0.736  0.993  1.0
  O  O7  1  0.248  0.736  0.988  1.0
  O  O8  1  0.243  0.736  0.507  1.0
  O  O9  1  0.248  0.260  0.512  1.0
  O  O10  1  0.752  0.740  0.488  1.0
  O  O11  1  0.752  0.264  0.012  1.0
  O  O12  1  0.757  0.264  0.493  1.0
  O  O13  1  0.271  0.264  0.007  1.0
[/CIF]
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The material described by Zn(NiO2)2 is Spinel-like structured and crystallizes in the orthorhombic Imma space group. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form NiO4 tetrahedra that share corners with six equivalent Ni(2)O6 octahedra and corners with six equivalent Zn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-58°. 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 corners with six equivalent Ni(1)O4 tetrahedra, edges with two equivalent Ni(2)O6 octahedra, and edges with four equivalent Zn(1)O6 octahedra. Zn(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form ZnO6 octahedra that share corners with six equivalent Ni(1)O4 tetrahedra, edges with two equivalent Zn(1)O6 octahedra, and edges with four equivalent Ni(2)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Ni(1), one Ni(2), and two equivalent Zn(1) 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 Crystallographic Information File (CIF) [CIF]
data_Zn(NiO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.895
_cell_length_b   5.895
_cell_length_c   5.895
_cell_angle_alpha   119.632
_cell_angle_beta   119.274
_cell_angle_gamma   90.950
_symmetry_Int_Tables_number   1
_cell_volume   146.009
_cell_formula_units_Z   2
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  0.500  0.000  0.000  1.0
  Zn  Zn1  1  0.500  0.500  0.500  1.0
  Ni  Ni2  1  0.881  0.131  0.750  1.0
  Ni  Ni3  1  0.119  0.869  0.250  1.0
  Ni  Ni4  1  0.500  0.500  0.000  1.0
  Ni  Ni5  1  0.000  0.500  0.500  1.0
  O  O6  1  0.729  0.736  0.993  1.0
  O  O7  1  0.248  0.736  0.988  1.0
  O  O8  1  0.243  0.736  0.507  1.0
  O  O9  1  0.248  0.260  0.512  1.0
  O  O10  1  0.752  0.740  0.488  1.0
  O  O11  1  0.752  0.264  0.012  1.0
  O  O12  1  0.757  0.264  0.493  1.0
  O  O13  1  0.271  0.264  0.007  1.0
[/CIF]
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