The crystal structure described by ZrNi4O crystallizes in the cubic F-43m space group. Zr(1) is bonded in a 16-coordinate geometry to twelve equivalent Ni(1) and four equivalent O(1) atoms. Ni(1) is bonded in a 9-coordinate geometry to three equivalent Zr(1) and six equivalent Ni(1) atoms. O(1) is bonded to four equivalent Zr(1) atoms to form corner-sharing OZr4 tetrahedra. is represented by the CIF card [CIF]
data_ZrNi4O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.702
_cell_length_b   4.702
_cell_length_c   4.702
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   73.521
_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
  Zr  Zr0  1  0.000  0.000  0.000  1.0
  Ni  Ni1  1  0.625  0.625  0.625  1.0
  Ni  Ni2  1  0.625  0.625  0.125  1.0
  Ni  Ni3  1  0.625  0.125  0.625  1.0
  Ni  Ni4  1  0.125  0.625  0.625  1.0
  O  O5  1  0.250  0.250  0.250  1.0
[/CIF]
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The crystal structure described by ZrNi4O crystallizes in the cubic F-43m space group. Zr(1) is bonded in a 16-coordinate geometry to twelve equivalent Ni(1) and four equivalent O(1) atoms. Ni(1) is bonded in a 9-coordinate geometry to three equivalent Zr(1) and six equivalent Ni(1) atoms. O(1) is bonded to four equivalent Zr(1) atoms to form corner-sharing OZr4 tetrahedra. is represented by the CIF card [CIF]
data_ZrNi4O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.702
_cell_length_b   4.702
_cell_length_c   4.702
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   73.521
_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
  Zr  Zr0  1  0.000  0.000  0.000  1.0
  Ni  Ni1  1  0.625  0.625  0.625  1.0
  Ni  Ni2  1  0.625  0.625  0.125  1.0
  Ni  Ni3  1  0.625  0.125  0.625  1.0
  Ni  Ni4  1  0.125  0.625  0.625  1.0
  O  O5  1  0.250  0.250  0.250  1.0
[/CIF]
.