The compound described by Na3BiF6 crystallizes in the triclinic P-1 space group. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded in a square co-planar geometry to two equivalent F(2) and two equivalent F(3) atoms. In the second Na site, Na(2) is bonded in a square co-planar geometry to two equivalent F(1) and two equivalent F(3) atoms. In the third Na site, Na(3) is bonded in a square co-planar geometry to two equivalent F(1) and two equivalent F(2) atoms. Bi(1) is bonded in an octahedral geometry to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms. There are three inequivalent F sites. In the first F site, F(1) is bonded in a distorted T-shaped geometry to one Na(2), one Na(3), and one Bi(1) atom. In the second F site, F(2) is bonded in a distorted trigonal non-coplanar geometry to one Na(1), one Na(3), and one Bi(1) atom. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Na(1), one Na(2), and one Bi(1) atom. is represented by the CIF file [CIF]
data_Na3BiF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.440
_cell_length_b   6.905
_cell_length_c   8.258
_cell_angle_alpha   57.104
_cell_angle_beta   137.984
_cell_angle_gamma   118.716
_symmetry_Int_Tables_number   1
_cell_volume   204.426
_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  0.000  0.000  0.500  1.0
  Na  Na1  1  0.500  0.500  0.000  1.0
  Na  Na2  1  0.000  0.500  0.000  1.0
  Bi  Bi3  1  0.000  0.000  0.000  1.0
  F  F4  1  0.990  0.395  0.780  1.0
  F  F5  1  0.010  0.605  0.220  1.0
  F  F6  1  0.900  0.862  0.750  1.0
  F  F7  1  0.100  0.138  0.250  1.0
  F  F8  1  0.491  0.885  0.834  1.0
  F  F9  1  0.509  0.115  0.166  1.0
[/CIF]
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The compound described by Na3BiF6 crystallizes in the triclinic P-1 space group. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded in a square co-planar geometry to two equivalent F(2) and two equivalent F(3) atoms. In the second Na site, Na(2) is bonded in a square co-planar geometry to two equivalent F(1) and two equivalent F(3) atoms. In the third Na site, Na(3) is bonded in a square co-planar geometry to two equivalent F(1) and two equivalent F(2) atoms. Bi(1) is bonded in an octahedral geometry to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms. There are three inequivalent F sites. In the first F site, F(1) is bonded in a distorted T-shaped geometry to one Na(2), one Na(3), and one Bi(1) atom. In the second F site, F(2) is bonded in a distorted trigonal non-coplanar geometry to one Na(1), one Na(3), and one Bi(1) atom. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Na(1), one Na(2), and one Bi(1) atom. is represented by the CIF file [CIF]
data_Na3BiF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.440
_cell_length_b   6.905
_cell_length_c   8.258
_cell_angle_alpha   57.104
_cell_angle_beta   137.984
_cell_angle_gamma   118.716
_symmetry_Int_Tables_number   1
_cell_volume   204.426
_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  0.000  0.000  0.500  1.0
  Na  Na1  1  0.500  0.500  0.000  1.0
  Na  Na2  1  0.000  0.500  0.000  1.0
  Bi  Bi3  1  0.000  0.000  0.000  1.0
  F  F4  1  0.990  0.395  0.780  1.0
  F  F5  1  0.010  0.605  0.220  1.0
  F  F6  1  0.900  0.862  0.750  1.0
  F  F7  1  0.100  0.138  0.250  1.0
  F  F8  1  0.491  0.885  0.834  1.0
  F  F9  1  0.509  0.115  0.166  1.0
[/CIF]
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