The material structure described by Zn(NiO2)2 is Spinel structured and crystallizes in the tetragonal I4_1/amd space group. Ni(1) is bonded to six equivalent O(1) atoms to form NiO6 octahedra that share corners with six equivalent Zn(1)O4 tetrahedra and edges with six equivalent Ni(1)O6 octahedra. Zn(1) is bonded to four equivalent O(1) atoms to form ZnO4 tetrahedra that share corners with twelve equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-60°. O(1) is bonded to three equivalent Ni(1) and one Zn(1) atom to form a mixture of distorted corner and edge-sharing OZnNi3 trigonal pyramids. is represented by the CIF card [CIF]
data_Zn(NiO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.629
_cell_length_b   5.888
_cell_length_c   5.629
_cell_angle_alpha   61.436
_cell_angle_beta   90.006
_cell_angle_gamma   118.564
_symmetry_Int_Tables_number   1
_cell_volume   137.443
_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  0.625  0.750  0.625  1.0
  Zn  Zn1  1  0.375  0.250  0.375  1.0
  Ni  Ni2  1  0.500  0.000  0.000  1.0
  Ni  Ni3  1  1.000  1.000  0.000  1.0
  Ni  Ni4  1  1.000  0.500  0.500  1.0
  Ni  Ni5  1  1.000  0.500  0.000  1.0
  O  O6  1  0.788  0.525  0.238  1.0
  O  O7  1  0.238  0.975  0.788  1.0
  O  O8  1  0.238  0.975  0.237  1.0
  O  O9  1  0.212  0.475  0.762  1.0
  O  O10  1  0.763  0.475  0.762  1.0
  O  O11  1  0.762  0.025  0.212  1.0
  O  O12  1  0.237  0.525  0.238  1.0
  O  O13  1  0.762  0.025  0.763  1.0
[/CIF]
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The material structure described by Zn(NiO2)2 is Spinel structured and crystallizes in the tetragonal I4_1/amd space group. Ni(1) is bonded to six equivalent O(1) atoms to form NiO6 octahedra that share corners with six equivalent Zn(1)O4 tetrahedra and edges with six equivalent Ni(1)O6 octahedra. Zn(1) is bonded to four equivalent O(1) atoms to form ZnO4 tetrahedra that share corners with twelve equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-60°. O(1) is bonded to three equivalent Ni(1) and one Zn(1) atom to form a mixture of distorted corner and edge-sharing OZnNi3 trigonal pyramids. is represented by the CIF card [CIF]
data_Zn(NiO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.629
_cell_length_b   5.888
_cell_length_c   5.629
_cell_angle_alpha   61.436
_cell_angle_beta   90.006
_cell_angle_gamma   118.564
_symmetry_Int_Tables_number   1
_cell_volume   137.443
_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  0.625  0.750  0.625  1.0
  Zn  Zn1  1  0.375  0.250  0.375  1.0
  Ni  Ni2  1  0.500  0.000  0.000  1.0
  Ni  Ni3  1  1.000  1.000  0.000  1.0
  Ni  Ni4  1  1.000  0.500  0.500  1.0
  Ni  Ni5  1  1.000  0.500  0.000  1.0
  O  O6  1  0.788  0.525  0.238  1.0
  O  O7  1  0.238  0.975  0.788  1.0
  O  O8  1  0.238  0.975  0.237  1.0
  O  O9  1  0.212  0.475  0.762  1.0
  O  O10  1  0.763  0.475  0.762  1.0
  O  O11  1  0.762  0.025  0.212  1.0
  O  O12  1  0.237  0.525  0.238  1.0
  O  O13  1  0.762  0.025  0.763  1.0
[/CIF]
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