The material described by Rb3BiF6 is Ilmenite-like structured and crystallizes in the triclinic P-1 space group. There are three inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a distorted hexagonal planar geometry to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms. In the second Rb site, Rb(2) is bonded in a distorted hexagonal planar geometry to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms. In the third Rb site, Rb(3) is bonded in a 6-coordinate geometry to two equivalent F(1), two equivalent F(2), and two equivalent F(3) 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 rectangular see-saw-like geometry to one Rb(1), one Rb(2), one Rb(3), and one Bi(1) atom. In the second F site, F(2) is bonded in a rectangular see-saw-like geometry to one Rb(1), one Rb(2), one Rb(3), and one Bi(1) atom. In the third F site, F(3) is bonded in a 4-coordinate geometry to one Rb(1), one Rb(2), one Rb(3), and one Bi(1) atom. is represented by the CIF file [CIF]
data_Rb3BiF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.265
_cell_length_b   7.285
_cell_length_c   7.530
_cell_angle_alpha   100.333
_cell_angle_beta   111.106
_cell_angle_gamma   102.790
_symmetry_Int_Tables_number   1
_cell_volume   347.553
_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
  Rb  Rb0  1  0.000  0.500  0.000  1.0
  Rb  Rb1  1  0.500  0.000  0.000  1.0
  Rb  Rb2  1  0.000  0.000  0.500  1.0
  Bi  Bi3  1  0.000  0.000  0.000  1.0
  F  F4  1  0.019  0.770  0.763  1.0
  F  F5  1  0.981  0.230  0.237  1.0
  F  F6  1  0.790  0.782  0.085  1.0
  F  F7  1  0.210  0.218  0.915  1.0
  F  F8  1  0.740  0.085  0.791  1.0
  F  F9  1  0.260  0.915  0.209  1.0
[/CIF]
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The material described by Rb3BiF6 is Ilmenite-like structured and crystallizes in the triclinic P-1 space group. There are three inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a distorted hexagonal planar geometry to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms. In the second Rb site, Rb(2) is bonded in a distorted hexagonal planar geometry to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms. In the third Rb site, Rb(3) is bonded in a 6-coordinate geometry to two equivalent F(1), two equivalent F(2), and two equivalent F(3) 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 rectangular see-saw-like geometry to one Rb(1), one Rb(2), one Rb(3), and one Bi(1) atom. In the second F site, F(2) is bonded in a rectangular see-saw-like geometry to one Rb(1), one Rb(2), one Rb(3), and one Bi(1) atom. In the third F site, F(3) is bonded in a 4-coordinate geometry to one Rb(1), one Rb(2), one Rb(3), and one Bi(1) atom. is represented by the CIF file [CIF]
data_Rb3BiF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.265
_cell_length_b   7.285
_cell_length_c   7.530
_cell_angle_alpha   100.333
_cell_angle_beta   111.106
_cell_angle_gamma   102.790
_symmetry_Int_Tables_number   1
_cell_volume   347.553
_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
  Rb  Rb0  1  0.000  0.500  0.000  1.0
  Rb  Rb1  1  0.500  0.000  0.000  1.0
  Rb  Rb2  1  0.000  0.000  0.500  1.0
  Bi  Bi3  1  0.000  0.000  0.000  1.0
  F  F4  1  0.019  0.770  0.763  1.0
  F  F5  1  0.981  0.230  0.237  1.0
  F  F6  1  0.790  0.782  0.085  1.0
  F  F7  1  0.210  0.218  0.915  1.0
  F  F8  1  0.740  0.085  0.791  1.0
  F  F9  1  0.260  0.915  0.209  1.0
[/CIF]
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