The structure described by (BaF2)3Sn crystallizes in the triclinic P-1 space group. The structure consists of one 7440-31-5 atom inside a BaF2 framework. In the BaF2 framework, there are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to two equivalent F(2) and four equivalent F(3) atoms to form a mixture of corner and edge-sharing BaF6 octahedra. The corner-sharing octahedral tilt angles range from 31-66°. In the second Ba site, Ba(2) is bonded to two equivalent F(3) and four equivalent F(1) atoms to form a mixture of distorted corner and edge-sharing BaF6 octahedra. The corner-sharing octahedral tilt angles range from 50-69°. In the third Ba site, Ba(3) is bonded to two equivalent F(1) and four equivalent F(2) atoms to form a mixture of corner and edge-sharing BaF6 octahedra. The corner-sharing octahedral tilt angles range from 31-69°. There are three inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal non-coplanar geometry to one Ba(3) and two equivalent Ba(2) atoms. In the second F site, F(2) is bonded in a 3-coordinate geometry to one Ba(1) and two equivalent Ba(3) atoms. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Ba(2) and two equivalent Ba(1) atoms. is represented by the CIF file [CIF]
data_Ba3SnF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.572
_cell_length_b   8.438
_cell_length_c   8.327
_cell_angle_alpha   64.601
_cell_angle_beta   153.833
_cell_angle_gamma   117.341
_symmetry_Int_Tables_number   1
_cell_volume   235.711
_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
  Ba  Ba0  1  0.000  0.000  0.500  1.0
  Ba  Ba1  1  0.500  0.500  0.000  1.0
  Ba  Ba2  1  0.000  0.500  0.000  1.0
  Sn  Sn3  1  0.000  0.000  0.000  1.0
  F  F4  1  0.921  0.396  0.666  1.0
  F  F5  1  0.079  0.604  0.334  1.0
  F  F6  1  0.619  0.689  0.396  1.0
  F  F7  1  0.381  0.311  0.604  1.0
  F  F8  1  0.505  0.842  0.914  1.0
  F  F9  1  0.495  0.158  0.086  1.0
[/CIF]
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The structure described by (BaF2)3Sn crystallizes in the triclinic P-1 space group. The structure consists of one 7440-31-5 atom inside a BaF2 framework. In the BaF2 framework, there are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to two equivalent F(2) and four equivalent F(3) atoms to form a mixture of corner and edge-sharing BaF6 octahedra. The corner-sharing octahedral tilt angles range from 31-66°. In the second Ba site, Ba(2) is bonded to two equivalent F(3) and four equivalent F(1) atoms to form a mixture of distorted corner and edge-sharing BaF6 octahedra. The corner-sharing octahedral tilt angles range from 50-69°. In the third Ba site, Ba(3) is bonded to two equivalent F(1) and four equivalent F(2) atoms to form a mixture of corner and edge-sharing BaF6 octahedra. The corner-sharing octahedral tilt angles range from 31-69°. There are three inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal non-coplanar geometry to one Ba(3) and two equivalent Ba(2) atoms. In the second F site, F(2) is bonded in a 3-coordinate geometry to one Ba(1) and two equivalent Ba(3) atoms. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Ba(2) and two equivalent Ba(1) atoms. is represented by the CIF file [CIF]
data_Ba3SnF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.572
_cell_length_b   8.438
_cell_length_c   8.327
_cell_angle_alpha   64.601
_cell_angle_beta   153.833
_cell_angle_gamma   117.341
_symmetry_Int_Tables_number   1
_cell_volume   235.711
_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
  Ba  Ba0  1  0.000  0.000  0.500  1.0
  Ba  Ba1  1  0.500  0.500  0.000  1.0
  Ba  Ba2  1  0.000  0.500  0.000  1.0
  Sn  Sn3  1  0.000  0.000  0.000  1.0
  F  F4  1  0.921  0.396  0.666  1.0
  F  F5  1  0.079  0.604  0.334  1.0
  F  F6  1  0.619  0.689  0.396  1.0
  F  F7  1  0.381  0.311  0.604  1.0
  F  F8  1  0.505  0.842  0.914  1.0
  F  F9  1  0.495  0.158  0.086  1.0
[/CIF]
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