The material structure described by Li2BiF5 crystallizes in the tetragonal I4/m space group. Li(1) is bonded to four equivalent F(1) atoms to form LiF4 tetrahedra that share corners with four equivalent Bi(1)F6 octahedra and edges with two equivalent Li(1)F4 tetrahedra. The corner-sharing octahedral tilt angles are 46°. Bi(1) is bonded to two equivalent F(2) and four equivalent F(1) atoms to form BiF6 octahedra that share corners with two equivalent Bi(1)F6 octahedra and corners with eight equivalent Li(1)F4 tetrahedra. The corner-sharing octahedra are not tilted. There are two inequivalent F sites. In the first F site, F(2) is bonded in a linear geometry to two equivalent Bi(1) atoms. In the second F site, F(1) is bonded in a 3-coordinate geometry to two equivalent Li(1) and one Bi(1) atom. is represented by the CIF card [CIF]
data_Li2BiF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.644
_cell_length_b   5.644
_cell_length_c   5.644
_cell_angle_alpha   100.204
_cell_angle_beta   100.204
_cell_angle_gamma   130.217
_symmetry_Int_Tables_number   1
_cell_volume   124.552
_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
  Li  Li0  1  0.750  0.250  0.500  1.0
  Li  Li1  1  0.250  0.750  0.500  1.0
  Bi  Bi2  1  0.000  0.000  0.000  1.0
  F  F3  1  0.947  0.690  0.638  1.0
  F  F4  1  0.310  0.947  0.257  1.0
  F  F5  1  0.690  0.053  0.743  1.0
  F  F6  1  0.053  0.310  0.362  1.0
  F  F7  1  0.500  0.500  0.000  1.0
[/CIF]
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The material structure described by Li2BiF5 crystallizes in the tetragonal I4/m space group. Li(1) is bonded to four equivalent F(1) atoms to form LiF4 tetrahedra that share corners with four equivalent Bi(1)F6 octahedra and edges with two equivalent Li(1)F4 tetrahedra. The corner-sharing octahedral tilt angles are 46°. Bi(1) is bonded to two equivalent F(2) and four equivalent F(1) atoms to form BiF6 octahedra that share corners with two equivalent Bi(1)F6 octahedra and corners with eight equivalent Li(1)F4 tetrahedra. The corner-sharing octahedra are not tilted. There are two inequivalent F sites. In the first F site, F(2) is bonded in a linear geometry to two equivalent Bi(1) atoms. In the second F site, F(1) is bonded in a 3-coordinate geometry to two equivalent Li(1) and one Bi(1) atom. is represented by the CIF card [CIF]
data_Li2BiF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.644
_cell_length_b   5.644
_cell_length_c   5.644
_cell_angle_alpha   100.204
_cell_angle_beta   100.204
_cell_angle_gamma   130.217
_symmetry_Int_Tables_number   1
_cell_volume   124.552
_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
  Li  Li0  1  0.750  0.250  0.500  1.0
  Li  Li1  1  0.250  0.750  0.500  1.0
  Bi  Bi2  1  0.000  0.000  0.000  1.0
  F  F3  1  0.947  0.690  0.638  1.0
  F  F4  1  0.310  0.947  0.257  1.0
  F  F5  1  0.690  0.053  0.743  1.0
  F  F6  1  0.053  0.310  0.362  1.0
  F  F7  1  0.500  0.500  0.000  1.0
[/CIF]
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