The material described by BiSb3F20 is Indium-like structured and crystallizes in the monoclinic C2 space group. The structure is zero-dimensional and consists of two BiSb3F20 clusters. Bi(1) is bonded to two equivalent F(4), two equivalent F(6), and two equivalent F(9) atoms to form distorted BiF6 octahedra that share corners with two equivalent Sb(2)F6 octahedra. The corner-sharing octahedral tilt angles are 11°. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to two equivalent F(10), two equivalent F(5), and two equivalent F(7) atoms to form corner-sharing SbF6 octahedra. The corner-sharing octahedral tilt angles are 9°. In the second Sb site, Sb(2) is bonded to one F(1), one F(2), one F(3), one F(6), one F(7), and one F(8) atom to form SbF6 octahedra that share  a cornercorner with one Bi(1)F6 octahedra and  a cornercorner with one Sb(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 9-11°. There are ten inequivalent F sites. In the first F site, F(1) is bonded in a single-bond geometry to one Sb(2) atom. In the second F site, F(2) is bonded in a single-bond geometry to one Sb(2) atom. In the third F site, F(3) is bonded in a single-bond geometry to one Sb(2) atom. In the fourth F site, F(4) is bonded in a single-bond geometry to one Bi(1) atom. In the fifth F site, F(5) is bonded in a single-bond geometry to one Sb(1) atom. In the sixth F site, F(6) is bonded in a linear geometry to one Bi(1) and one Sb(2) atom. In the seventh F site, F(7) is bonded in a linear geometry to one Sb(1) and one Sb(2) atom. In the eighth F site, F(8) is bonded in a single-bond geometry to one Sb(2) atom. In the ninth F site, F(9) is bonded in a single-bond geometry to one Bi(1) atom. In the tenth F site, F(10) is bonded in a single-bond geometry to one Sb(1) atom. is represented by the CIF file [CIF]
data_BiSb3F20
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.499
_cell_length_b   8.499
_cell_length_c   5.044
_cell_angle_alpha   85.368
_cell_angle_beta   85.368
_cell_angle_gamma   112.053
_symmetry_Int_Tables_number   1
_cell_volume   334.118
_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
  Bi  Bi0  1  0.786  0.214  0.000  1.0
  Sb  Sb1  1  0.205  0.795  0.000  1.0
  Sb  Sb2  1  0.259  0.257  0.241  1.0
  Sb  Sb3  1  0.743  0.741  0.759  1.0
  F  F4  1  0.272  0.465  0.347  1.0
  F  F5  1  0.468  0.260  0.331  1.0
  F  F6  1  0.740  0.532  0.669  1.0
  F  F7  1  0.535  0.728  0.653  1.0
  F  F8  1  0.348  0.347  0.887  1.0
  F  F9  1  0.653  0.652  0.113  1.0
  F  F10  1  0.835  0.432  0.156  1.0
  F  F11  1  0.415  0.837  0.124  1.0
  F  F12  1  0.163  0.585  0.876  1.0
  F  F13  1  0.568  0.165  0.844  1.0
  F  F14  1  0.030  0.214  0.120  1.0
  F  F15  1  0.213  0.024  0.111  1.0
  F  F16  1  0.976  0.787  0.889  1.0
  F  F17  1  0.786  0.970  0.880  1.0
  F  F18  1  0.136  0.130  0.561  1.0
  F  F19  1  0.870  0.864  0.439  1.0
  F  F20  1  0.929  0.310  0.651  1.0
  F  F21  1  0.297  0.917  0.665  1.0
  F  F22  1  0.083  0.703  0.335  1.0
  F  F23  1  0.690  0.071  0.349  1.0
[/CIF]
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The material described by BiSb3F20 is Indium-like structured and crystallizes in the monoclinic C2 space group. The structure is zero-dimensional and consists of two BiSb3F20 clusters. Bi(1) is bonded to two equivalent F(4), two equivalent F(6), and two equivalent F(9) atoms to form distorted BiF6 octahedra that share corners with two equivalent Sb(2)F6 octahedra. The corner-sharing octahedral tilt angles are 11°. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to two equivalent F(10), two equivalent F(5), and two equivalent F(7) atoms to form corner-sharing SbF6 octahedra. The corner-sharing octahedral tilt angles are 9°. In the second Sb site, Sb(2) is bonded to one F(1), one F(2), one F(3), one F(6), one F(7), and one F(8) atom to form SbF6 octahedra that share  a cornercorner with one Bi(1)F6 octahedra and  a cornercorner with one Sb(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 9-11°. There are ten inequivalent F sites. In the first F site, F(1) is bonded in a single-bond geometry to one Sb(2) atom. In the second F site, F(2) is bonded in a single-bond geometry to one Sb(2) atom. In the third F site, F(3) is bonded in a single-bond geometry to one Sb(2) atom. In the fourth F site, F(4) is bonded in a single-bond geometry to one Bi(1) atom. In the fifth F site, F(5) is bonded in a single-bond geometry to one Sb(1) atom. In the sixth F site, F(6) is bonded in a linear geometry to one Bi(1) and one Sb(2) atom. In the seventh F site, F(7) is bonded in a linear geometry to one Sb(1) and one Sb(2) atom. In the eighth F site, F(8) is bonded in a single-bond geometry to one Sb(2) atom. In the ninth F site, F(9) is bonded in a single-bond geometry to one Bi(1) atom. In the tenth F site, F(10) is bonded in a single-bond geometry to one Sb(1) atom. is represented by the CIF file [CIF]
data_BiSb3F20
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.499
_cell_length_b   8.499
_cell_length_c   5.044
_cell_angle_alpha   85.368
_cell_angle_beta   85.368
_cell_angle_gamma   112.053
_symmetry_Int_Tables_number   1
_cell_volume   334.118
_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
  Bi  Bi0  1  0.786  0.214  0.000  1.0
  Sb  Sb1  1  0.205  0.795  0.000  1.0
  Sb  Sb2  1  0.259  0.257  0.241  1.0
  Sb  Sb3  1  0.743  0.741  0.759  1.0
  F  F4  1  0.272  0.465  0.347  1.0
  F  F5  1  0.468  0.260  0.331  1.0
  F  F6  1  0.740  0.532  0.669  1.0
  F  F7  1  0.535  0.728  0.653  1.0
  F  F8  1  0.348  0.347  0.887  1.0
  F  F9  1  0.653  0.652  0.113  1.0
  F  F10  1  0.835  0.432  0.156  1.0
  F  F11  1  0.415  0.837  0.124  1.0
  F  F12  1  0.163  0.585  0.876  1.0
  F  F13  1  0.568  0.165  0.844  1.0
  F  F14  1  0.030  0.214  0.120  1.0
  F  F15  1  0.213  0.024  0.111  1.0
  F  F16  1  0.976  0.787  0.889  1.0
  F  F17  1  0.786  0.970  0.880  1.0
  F  F18  1  0.136  0.130  0.561  1.0
  F  F19  1  0.870  0.864  0.439  1.0
  F  F20  1  0.929  0.310  0.651  1.0
  F  F21  1  0.297  0.917  0.665  1.0
  F  F22  1  0.083  0.703  0.335  1.0
  F  F23  1  0.690  0.071  0.349  1.0
[/CIF]
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