The crystal structure described by BaSnF4 is Fluorite-derived structured and crystallizes in the trigonal R-3m space group. Ba(1) is bonded in a body-centered cubic geometry to two equivalent F(2) and six equivalent F(1) atoms. Sn(1) is bonded in a body-centered cubic geometry to two equivalent F(1) and six equivalent F(2) atoms. There are two inequivalent F sites. In the first F site, F(1) is bonded to three equivalent Ba(1) and one Sn(1) atom to form FBa3Sn tetrahedra that share corners with six equivalent F(2)BaSn3 tetrahedra, corners with ten equivalent F(1)Ba3Sn tetrahedra, edges with three equivalent F(1)Ba3Sn tetrahedra, and edges with three equivalent F(2)BaSn3 tetrahedra. In the second F site, F(2) is bonded to one Ba(1) and three equivalent Sn(1) atoms to form FBaSn3 tetrahedra that share corners with six equivalent F(1)Ba3Sn tetrahedra, corners with ten equivalent F(2)BaSn3 tetrahedra, edges with three equivalent F(1)Ba3Sn tetrahedra, and edges with three equivalent F(2)BaSn3 tetrahedra. is represented by the CIF card [CIF]
data_BaSnF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.410
_cell_length_b   7.410
_cell_length_c   7.410
_cell_angle_alpha   33.926
_cell_angle_beta   33.926
_cell_angle_gamma   33.926
_symmetry_Int_Tables_number   1
_cell_volume   112.977
_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  0.000  1.0
  Sn  Sn1  1  0.500  0.500  0.500  1.0
  F  F2  1  0.620  0.620  0.620  1.0
  F  F3  1  0.130  0.130  0.130  1.0
  F  F4  1  0.870  0.870  0.870  1.0
  F  F5  1  0.380  0.380  0.380  1.0
[/CIF]
.
The crystal structure described by BaSnF4 is Fluorite-derived structured and crystallizes in the trigonal R-3m space group. Ba(1) is bonded in a body-centered cubic geometry to two equivalent F(2) and six equivalent F(1) atoms. Sn(1) is bonded in a body-centered cubic geometry to two equivalent F(1) and six equivalent F(2) atoms. There are two inequivalent F sites. In the first F site, F(1) is bonded to three equivalent Ba(1) and one Sn(1) atom to form FBa3Sn tetrahedra that share corners with six equivalent F(2)BaSn3 tetrahedra, corners with ten equivalent F(1)Ba3Sn tetrahedra, edges with three equivalent F(1)Ba3Sn tetrahedra, and edges with three equivalent F(2)BaSn3 tetrahedra. In the second F site, F(2) is bonded to one Ba(1) and three equivalent Sn(1) atoms to form FBaSn3 tetrahedra that share corners with six equivalent F(1)Ba3Sn tetrahedra, corners with ten equivalent F(2)BaSn3 tetrahedra, edges with three equivalent F(1)Ba3Sn tetrahedra, and edges with three equivalent F(2)BaSn3 tetrahedra. is represented by the CIF card [CIF]
data_BaSnF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.410
_cell_length_b   7.410
_cell_length_c   7.410
_cell_angle_alpha   33.926
_cell_angle_beta   33.926
_cell_angle_gamma   33.926
_symmetry_Int_Tables_number   1
_cell_volume   112.977
_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  0.000  1.0
  Sn  Sn1  1  0.500  0.500  0.500  1.0
  F  F2  1  0.620  0.620  0.620  1.0
  F  F3  1  0.130  0.130  0.130  1.0
  F  F4  1  0.870  0.870  0.870  1.0
  F  F5  1  0.380  0.380  0.380  1.0
[/CIF]
.