The material structure described by NaBiF6 crystallizes in the trigonal R-3 space group. Na(1) is bonded to six equivalent F(1) atoms to form NaF6 octahedra that share corners with six equivalent Bi(1)F6 octahedra. The corner-sharing octahedral tilt angles are 44°. Bi(1) is bonded to six equivalent F(1) atoms to form BiF6 octahedra that share corners with six equivalent Na(1)F6 octahedra. The corner-sharing octahedral tilt angles are 44°. F(1) is bonded in a bent 150 degrees geometry to one Na(1) and one Bi(1) atom. is represented by the CIF card [CIF]
data_NaBiF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.937
_cell_length_b   5.937
_cell_length_c   5.937
_cell_angle_alpha   52.745
_cell_angle_beta   52.745
_cell_angle_gamma   52.745
_symmetry_Int_Tables_number   1
_cell_volume   122.812
_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
  Na  Na0  1  0.500  0.500  0.500  1.0
  Bi  Bi1  1  0.000  0.000  0.000  1.0
  F  F2  1  0.385  0.761  0.084  1.0
  F  F3  1  0.084  0.385  0.761  1.0
  F  F4  1  0.761  0.084  0.385  1.0
  F  F5  1  0.615  0.239  0.916  1.0
  F  F6  1  0.916  0.615  0.239  1.0
  F  F7  1  0.239  0.916  0.615  1.0
[/CIF]
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The material structure described by NaBiF6 crystallizes in the trigonal R-3 space group. Na(1) is bonded to six equivalent F(1) atoms to form NaF6 octahedra that share corners with six equivalent Bi(1)F6 octahedra. The corner-sharing octahedral tilt angles are 44°. Bi(1) is bonded to six equivalent F(1) atoms to form BiF6 octahedra that share corners with six equivalent Na(1)F6 octahedra. The corner-sharing octahedral tilt angles are 44°. F(1) is bonded in a bent 150 degrees geometry to one Na(1) and one Bi(1) atom. is represented by the CIF card [CIF]
data_NaBiF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.937
_cell_length_b   5.937
_cell_length_c   5.937
_cell_angle_alpha   52.745
_cell_angle_beta   52.745
_cell_angle_gamma   52.745
_symmetry_Int_Tables_number   1
_cell_volume   122.812
_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
  Na  Na0  1  0.500  0.500  0.500  1.0
  Bi  Bi1  1  0.000  0.000  0.000  1.0
  F  F2  1  0.385  0.761  0.084  1.0
  F  F3  1  0.084  0.385  0.761  1.0
  F  F4  1  0.761  0.084  0.385  1.0
  F  F5  1  0.615  0.239  0.916  1.0
  F  F6  1  0.916  0.615  0.239  1.0
  F  F7  1  0.239  0.916  0.615  1.0
[/CIF]
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