The structure described by Zr4Ni2O crystallizes in the cubic Fd-3m space group. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a distorted bent 150 degrees geometry to two equivalent Ni(1) and two equivalent O(1) atoms. In the second Zr site, Zr(2) is bonded in a 6-coordinate geometry to six equivalent Ni(1) atoms. Ni(1) is bonded in a 6-coordinate geometry to three equivalent Zr(1) and three equivalent Zr(2) atoms. O(1) is bonded to six equivalent Zr(1) atoms to form corner-sharing OZr6 octahedra. The corner-sharing octahedral tilt angles are 36°. is represented by the CIF card [CIF]
data_Zr4Ni2O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.741
_cell_length_b   8.741
_cell_length_c   8.741
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   472.271
_cell_formula_units_Z   4
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  0.058  0.692  0.692  1.0
  Zr  Zr1  1  0.308  0.942  0.942  1.0
  Zr  Zr2  1  0.692  0.058  0.692  1.0
  Zr  Zr3  1  0.692  0.692  0.058  1.0
  Zr  Zr4  1  0.058  0.058  0.692  1.0
  Zr  Zr5  1  0.058  0.692  0.058  1.0
  Zr  Zr6  1  0.308  0.942  0.308  1.0
  Zr  Zr7  1  0.942  0.308  0.942  1.0
  Zr  Zr8  1  0.500  0.500  0.500  1.0
  Zr  Zr9  1  0.500  0.500  0.000  1.0
  Zr  Zr10  1  0.000  0.500  0.500  1.0
  Zr  Zr11  1  0.500  0.000  0.500  1.0
  Zr  Zr12  1  0.942  0.308  0.308  1.0
  Zr  Zr13  1  0.308  0.308  0.942  1.0
  Zr  Zr14  1  0.942  0.942  0.308  1.0
  Zr  Zr15  1  0.692  0.058  0.058  1.0
  Ni  Ni16  1  0.714  0.714  0.357  1.0
  Ni  Ni17  1  0.286  0.286  0.286  1.0
  Ni  Ni18  1  0.714  0.357  0.714  1.0
  Ni  Ni19  1  0.357  0.714  0.714  1.0
  Ni  Ni20  1  0.286  0.643  0.286  1.0
  Ni  Ni21  1  0.714  0.714  0.714  1.0
  Ni  Ni22  1  0.286  0.286  0.643  1.0
  Ni  Ni23  1  0.643  0.286  0.286  1.0
  O  O24  1  0.000  0.500  0.000  1.0
  O  O25  1  0.500  0.000  0.000  1.0
  O  O26  1  0.000  0.000  0.500  1.0
  O  O27  1  0.000  0.000  0.000  1.0
[/CIF]
.
The structure described by Zr4Ni2O crystallizes in the cubic Fd-3m space group. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a distorted bent 150 degrees geometry to two equivalent Ni(1) and two equivalent O(1) atoms. In the second Zr site, Zr(2) is bonded in a 6-coordinate geometry to six equivalent Ni(1) atoms. Ni(1) is bonded in a 6-coordinate geometry to three equivalent Zr(1) and three equivalent Zr(2) atoms. O(1) is bonded to six equivalent Zr(1) atoms to form corner-sharing OZr6 octahedra. The corner-sharing octahedral tilt angles are 36°. is represented by the CIF card [CIF]
data_Zr4Ni2O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.741
_cell_length_b   8.741
_cell_length_c   8.741
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   472.271
_cell_formula_units_Z   4
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  0.058  0.692  0.692  1.0
  Zr  Zr1  1  0.308  0.942  0.942  1.0
  Zr  Zr2  1  0.692  0.058  0.692  1.0
  Zr  Zr3  1  0.692  0.692  0.058  1.0
  Zr  Zr4  1  0.058  0.058  0.692  1.0
  Zr  Zr5  1  0.058  0.692  0.058  1.0
  Zr  Zr6  1  0.308  0.942  0.308  1.0
  Zr  Zr7  1  0.942  0.308  0.942  1.0
  Zr  Zr8  1  0.500  0.500  0.500  1.0
  Zr  Zr9  1  0.500  0.500  0.000  1.0
  Zr  Zr10  1  0.000  0.500  0.500  1.0
  Zr  Zr11  1  0.500  0.000  0.500  1.0
  Zr  Zr12  1  0.942  0.308  0.308  1.0
  Zr  Zr13  1  0.308  0.308  0.942  1.0
  Zr  Zr14  1  0.942  0.942  0.308  1.0
  Zr  Zr15  1  0.692  0.058  0.058  1.0
  Ni  Ni16  1  0.714  0.714  0.357  1.0
  Ni  Ni17  1  0.286  0.286  0.286  1.0
  Ni  Ni18  1  0.714  0.357  0.714  1.0
  Ni  Ni19  1  0.357  0.714  0.714  1.0
  Ni  Ni20  1  0.286  0.643  0.286  1.0
  Ni  Ni21  1  0.714  0.714  0.714  1.0
  Ni  Ni22  1  0.286  0.286  0.643  1.0
  Ni  Ni23  1  0.643  0.286  0.286  1.0
  O  O24  1  0.000  0.500  0.000  1.0
  O  O25  1  0.500  0.000  0.000  1.0
  O  O26  1  0.000  0.000  0.500  1.0
  O  O27  1  0.000  0.000  0.000  1.0
[/CIF]
.