The material described by Cs3SbF6 crystallizes in the triclinic P-1 space group. There are three inequivalent Cs sites. In the first Cs site, Cs(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 Cs site, Cs(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 Cs site, Cs(3) is bonded in a distorted hexagonal planar geometry to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms. Sb(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 4-coordinate geometry to one Cs(1), one Cs(2), one Cs(3), and one Sb(1) atom. In the second F site, F(2) is bonded in a distorted rectangular see-saw-like geometry to one Cs(1), one Cs(2), one Cs(3), and one Sb(1) atom. In the third F site, F(3) is bonded in a distorted rectangular see-saw-like geometry to one Cs(1), one Cs(2), one Cs(3), and one Sb(1) atom. is represented by the CIF file [CIF]
data_Cs3SbF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.589
_cell_length_b   7.663
_cell_length_c   7.637
_cell_angle_alpha   77.177
_cell_angle_beta   110.671
_cell_angle_gamma   128.722
_symmetry_Int_Tables_number   1
_cell_volume   409.630
_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
  Cs  Cs0  1  0.000  0.000  0.500  1.0
  Cs  Cs1  1  0.500  0.500  0.000  1.0
  Cs  Cs2  1  0.000  0.500  0.000  1.0
  Sb  Sb3  1  0.000  0.000  0.000  1.0
  F  F4  1  0.056  0.268  0.785  1.0
  F  F5  1  0.944  0.732  0.215  1.0
  F  F6  1  0.789  0.722  0.794  1.0
  F  F7  1  0.211  0.278  0.206  1.0
  F  F8  1  0.794  0.002  0.067  1.0
  F  F9  1  0.206  0.998  0.933  1.0
[/CIF]
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The material described by Cs3SbF6 crystallizes in the triclinic P-1 space group. There are three inequivalent Cs sites. In the first Cs site, Cs(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 Cs site, Cs(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 Cs site, Cs(3) is bonded in a distorted hexagonal planar geometry to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms. Sb(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 4-coordinate geometry to one Cs(1), one Cs(2), one Cs(3), and one Sb(1) atom. In the second F site, F(2) is bonded in a distorted rectangular see-saw-like geometry to one Cs(1), one Cs(2), one Cs(3), and one Sb(1) atom. In the third F site, F(3) is bonded in a distorted rectangular see-saw-like geometry to one Cs(1), one Cs(2), one Cs(3), and one Sb(1) atom. is represented by the CIF file [CIF]
data_Cs3SbF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.589
_cell_length_b   7.663
_cell_length_c   7.637
_cell_angle_alpha   77.177
_cell_angle_beta   110.671
_cell_angle_gamma   128.722
_symmetry_Int_Tables_number   1
_cell_volume   409.630
_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
  Cs  Cs0  1  0.000  0.000  0.500  1.0
  Cs  Cs1  1  0.500  0.500  0.000  1.0
  Cs  Cs2  1  0.000  0.500  0.000  1.0
  Sb  Sb3  1  0.000  0.000  0.000  1.0
  F  F4  1  0.056  0.268  0.785  1.0
  F  F5  1  0.944  0.732  0.215  1.0
  F  F6  1  0.789  0.722  0.794  1.0
  F  F7  1  0.211  0.278  0.206  1.0
  F  F8  1  0.794  0.002  0.067  1.0
  F  F9  1  0.206  0.998  0.933  1.0
[/CIF]
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