The material structure described by FeSnF6 crystallizes in the trigonal R-3 space group. Fe(1) is bonded to six equivalent F(1) atoms to form FeF6 octahedra that share corners with six equivalent Sn(1)F6 octahedra. The corner-sharing octahedral tilt angles are 33°. Sn(1) is bonded to six equivalent F(1) atoms to form SnF6 octahedra that share corners with six equivalent Fe(1)F6 octahedra. The corner-sharing octahedral tilt angles are 33°. F(1) is bonded in a bent 150 degrees geometry to one Fe(1) and one Sn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_FeSnF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.484
_cell_length_b   5.484
_cell_length_c   5.631
_cell_angle_alpha   60.861
_cell_angle_beta   60.861
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   121.279
_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
  Fe  Fe0  1  0.500  0.500  0.500  1.0
  Sn  Sn1  1  0.000  0.000  0.000  1.0
  F  F2  1  0.137  0.761  0.752  1.0
  F  F3  1  0.350  0.137  0.752  1.0
  F  F4  1  0.761  0.350  0.752  1.0
  F  F5  1  0.650  0.863  0.248  1.0
  F  F6  1  0.863  0.239  0.248  1.0
  F  F7  1  0.239  0.650  0.248  1.0
[/CIF]
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The material structure described by FeSnF6 crystallizes in the trigonal R-3 space group. Fe(1) is bonded to six equivalent F(1) atoms to form FeF6 octahedra that share corners with six equivalent Sn(1)F6 octahedra. The corner-sharing octahedral tilt angles are 33°. Sn(1) is bonded to six equivalent F(1) atoms to form SnF6 octahedra that share corners with six equivalent Fe(1)F6 octahedra. The corner-sharing octahedral tilt angles are 33°. F(1) is bonded in a bent 150 degrees geometry to one Fe(1) and one Sn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_FeSnF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.484
_cell_length_b   5.484
_cell_length_c   5.631
_cell_angle_alpha   60.861
_cell_angle_beta   60.861
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   121.279
_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
  Fe  Fe0  1  0.500  0.500  0.500  1.0
  Sn  Sn1  1  0.000  0.000  0.000  1.0
  F  F2  1  0.137  0.761  0.752  1.0
  F  F3  1  0.350  0.137  0.752  1.0
  F  F4  1  0.761  0.350  0.752  1.0
  F  F5  1  0.650  0.863  0.248  1.0
  F  F6  1  0.863  0.239  0.248  1.0
  F  F7  1  0.239  0.650  0.248  1.0
[/CIF]
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