The structure described by ZrF6NiO6 is Indium-derived structured and crystallizes in the trigonal R-3 space group. The structure is zero-dimensional and consists of three NiO6 clusters and three ZrF6 clusters. In each NiO6 cluster, Ni(1) is bonded in an octahedral geometry to six equivalent O(1) atoms. O(1) is bonded in a single-bond geometry to one Ni(1) atom. In each ZrF6 cluster, Zr(1) is bonded in an octahedral geometry to six equivalent F(1) atoms. F(1) is bonded in a single-bond geometry to one Zr(1) atom. is represented by the CIF card [CIF]
data_ZrNi(OF)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.951
_cell_length_b   5.951
_cell_length_c   5.951
_cell_angle_alpha   96.019
_cell_angle_beta   96.019
_cell_angle_gamma   96.019
_symmetry_Int_Tables_number   1
_cell_volume   207.020
_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  0.500  0.500  0.500  1.0
  O  O2  1  0.789  0.440  0.602  1.0
  O  O3  1  0.440  0.602  0.789  1.0
  O  O4  1  0.602  0.789  0.440  1.0
  O  O5  1  0.211  0.560  0.398  1.0
  O  O6  1  0.560  0.398  0.211  1.0
  O  O7  1  0.398  0.211  0.560  1.0
  F  F8  1  0.714  0.814  0.073  1.0
  F  F9  1  0.814  0.073  0.714  1.0
  F  F10  1  0.073  0.714  0.814  1.0
  F  F11  1  0.286  0.186  0.927  1.0
  F  F12  1  0.186  0.927  0.286  1.0
  F  F13  1  0.927  0.286  0.186  1.0
[/CIF]
.
The structure described by ZrF6NiO6 is Indium-derived structured and crystallizes in the trigonal R-3 space group. The structure is zero-dimensional and consists of three NiO6 clusters and three ZrF6 clusters. In each NiO6 cluster, Ni(1) is bonded in an octahedral geometry to six equivalent O(1) atoms. O(1) is bonded in a single-bond geometry to one Ni(1) atom. In each ZrF6 cluster, Zr(1) is bonded in an octahedral geometry to six equivalent F(1) atoms. F(1) is bonded in a single-bond geometry to one Zr(1) atom. is represented by the CIF card [CIF]
data_ZrNi(OF)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.951
_cell_length_b   5.951
_cell_length_c   5.951
_cell_angle_alpha   96.019
_cell_angle_beta   96.019
_cell_angle_gamma   96.019
_symmetry_Int_Tables_number   1
_cell_volume   207.020
_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  0.500  0.500  0.500  1.0
  O  O2  1  0.789  0.440  0.602  1.0
  O  O3  1  0.440  0.602  0.789  1.0
  O  O4  1  0.602  0.789  0.440  1.0
  O  O5  1  0.211  0.560  0.398  1.0
  O  O6  1  0.560  0.398  0.211  1.0
  O  O7  1  0.398  0.211  0.560  1.0
  F  F8  1  0.714  0.814  0.073  1.0
  F  F9  1  0.814  0.073  0.714  1.0
  F  F10  1  0.073  0.714  0.814  1.0
  F  F11  1  0.286  0.186  0.927  1.0
  F  F12  1  0.186  0.927  0.286  1.0
  F  F13  1  0.927  0.286  0.186  1.0
[/CIF]
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