The structure described by LiBiF5 crystallizes in the tetragonal I-4 space group. Li(1) is bonded to four equivalent F(2) atoms to form LiF4 tetrahedra that share corners with four equivalent Bi(1)F6 octahedra. The corner-sharing octahedral tilt angles are 50°. Bi(1) is bonded to two equivalent F(1) and four equivalent F(2) atoms to form BiF6 octahedra that share corners with two equivalent Bi(1)F6 octahedra and corners with four equivalent Li(1)F4 tetrahedra. The corner-sharing octahedra are not tilted. There are two inequivalent F sites. In the first F site, F(1) is bonded in a linear geometry to two equivalent Bi(1) atoms. In the second F site, F(2) is bonded in a bent 120 degrees geometry to one Li(1) and one Bi(1) atom. is represented by the CIF card [CIF]
data_LiBiF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.437
_cell_length_b   5.437
_cell_length_c   5.437
_cell_angle_alpha   99.587
_cell_angle_beta   99.587
_cell_angle_gamma   131.828
_symmetry_Int_Tables_number   1
_cell_volume   109.361
_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  0.000  0.000  0.000  1.0
  Bi  Bi1  1  0.250  0.750  0.500  1.0
  F  F2  1  0.750  0.250  0.500  1.0
  F  F3  1  0.325  0.441  0.304  1.0
  F  F4  1  0.978  0.675  0.116  1.0
  F  F5  1  0.559  0.863  0.884  1.0
  F  F6  1  0.137  0.022  0.696  1.0
[/CIF]
.
The structure described by LiBiF5 crystallizes in the tetragonal I-4 space group. Li(1) is bonded to four equivalent F(2) atoms to form LiF4 tetrahedra that share corners with four equivalent Bi(1)F6 octahedra. The corner-sharing octahedral tilt angles are 50°. Bi(1) is bonded to two equivalent F(1) and four equivalent F(2) atoms to form BiF6 octahedra that share corners with two equivalent Bi(1)F6 octahedra and corners with four equivalent Li(1)F4 tetrahedra. The corner-sharing octahedra are not tilted. There are two inequivalent F sites. In the first F site, F(1) is bonded in a linear geometry to two equivalent Bi(1) atoms. In the second F site, F(2) is bonded in a bent 120 degrees geometry to one Li(1) and one Bi(1) atom. is represented by the CIF card [CIF]
data_LiBiF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.437
_cell_length_b   5.437
_cell_length_c   5.437
_cell_angle_alpha   99.587
_cell_angle_beta   99.587
_cell_angle_gamma   131.828
_symmetry_Int_Tables_number   1
_cell_volume   109.361
_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  0.000  0.000  0.000  1.0
  Bi  Bi1  1  0.250  0.750  0.500  1.0
  F  F2  1  0.750  0.250  0.500  1.0
  F  F3  1  0.325  0.441  0.304  1.0
  F  F4  1  0.978  0.675  0.116  1.0
  F  F5  1  0.559  0.863  0.884  1.0
  F  F6  1  0.137  0.022  0.696  1.0
[/CIF]
.