The crystal structure described by HfF6NiO6 is Tetraauricupride structured and crystallizes in the trigonal R-3 space group. The structure is zero-dimensional and consists of three HfF6 clusters and three NiO6 clusters. In each HfF6 cluster, Hf(1) is bonded in an octahedral geometry to six equivalent F(1) atoms. F(1) is bonded in a single-bond geometry to one Hf(1) atom. 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. is represented by the CIF file [CIF]
data_HfNi(OF)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.909
_cell_length_b   5.909
_cell_length_c   5.909
_cell_angle_alpha   93.839
_cell_angle_beta   93.839
_cell_angle_gamma   93.839
_symmetry_Int_Tables_number   1
_cell_volume   204.818
_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
  Hf  Hf0  1  0.000  0.000  0.000  1.0
  Ni  Ni1  1  0.500  0.500  0.500  1.0
  O  O2  1  0.806  0.592  0.435  1.0
  O  O3  1  0.592  0.435  0.806  1.0
  O  O4  1  0.435  0.806  0.592  1.0
  O  O5  1  0.194  0.408  0.565  1.0
  O  O6  1  0.408  0.565  0.194  1.0
  O  O7  1  0.565  0.194  0.408  1.0
  F  F8  1  0.729  0.083  0.809  1.0
  F  F9  1  0.083  0.809  0.729  1.0
  F  F10  1  0.809  0.729  0.083  1.0
  F  F11  1  0.271  0.917  0.191  1.0
  F  F12  1  0.917  0.191  0.271  1.0
  F  F13  1  0.191  0.271  0.917  1.0
[/CIF]
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The crystal structure described by HfF6NiO6 is Tetraauricupride structured and crystallizes in the trigonal R-3 space group. The structure is zero-dimensional and consists of three HfF6 clusters and three NiO6 clusters. In each HfF6 cluster, Hf(1) is bonded in an octahedral geometry to six equivalent F(1) atoms. F(1) is bonded in a single-bond geometry to one Hf(1) atom. 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. is represented by the CIF file [CIF]
data_HfNi(OF)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.909
_cell_length_b   5.909
_cell_length_c   5.909
_cell_angle_alpha   93.839
_cell_angle_beta   93.839
_cell_angle_gamma   93.839
_symmetry_Int_Tables_number   1
_cell_volume   204.818
_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
  Hf  Hf0  1  0.000  0.000  0.000  1.0
  Ni  Ni1  1  0.500  0.500  0.500  1.0
  O  O2  1  0.806  0.592  0.435  1.0
  O  O3  1  0.592  0.435  0.806  1.0
  O  O4  1  0.435  0.806  0.592  1.0
  O  O5  1  0.194  0.408  0.565  1.0
  O  O6  1  0.408  0.565  0.194  1.0
  O  O7  1  0.565  0.194  0.408  1.0
  F  F8  1  0.729  0.083  0.809  1.0
  F  F9  1  0.083  0.809  0.729  1.0
  F  F10  1  0.809  0.729  0.083  1.0
  F  F11  1  0.271  0.917  0.191  1.0
  F  F12  1  0.917  0.191  0.271  1.0
  F  F13  1  0.191  0.271  0.917  1.0
[/CIF]
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