The material structure described by LuF3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. Lu(1) is bonded in a distorted body-centered cubic geometry to six equivalent F(2) and eight equivalent F(1) atoms. There are two inequivalent F sites. In the first F site, F(1) is bonded to four equivalent Lu(1) atoms to form FLu4 tetrahedra that share corners with twelve equivalent F(2)Lu6 octahedra, corners with sixteen equivalent F(1)Lu4 tetrahedra, edges with six equivalent F(1)Lu4 tetrahedra, and faces with four equivalent F(2)Lu6 octahedra. The corner-sharing octahedral tilt angles are 55°. In the second F site, F(2) is bonded to six equivalent Lu(1) atoms to form FLu6 octahedra that share corners with six equivalent F(2)Lu6 octahedra, corners with twenty-four equivalent F(1)Lu4 tetrahedra, edges with twelve equivalent F(2)Lu6 octahedra, and faces with eight equivalent F(1)Lu4 tetrahedra. The corner-sharing octahedra are not tilted. is represented by the CIF file [CIF]
data_LuF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.874
_cell_length_b   3.874
_cell_length_c   3.874
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   41.104
_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
  Lu  Lu0  1  0.000  0.000  0.000  1.0
  F  F1  1  0.250  0.250  0.250  1.0
  F  F2  1  0.750  0.750  0.750  1.0
  F  F3  1  0.500  0.500  0.500  1.0
[/CIF]
.
The material structure described by LuF3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. Lu(1) is bonded in a distorted body-centered cubic geometry to six equivalent F(2) and eight equivalent F(1) atoms. There are two inequivalent F sites. In the first F site, F(1) is bonded to four equivalent Lu(1) atoms to form FLu4 tetrahedra that share corners with twelve equivalent F(2)Lu6 octahedra, corners with sixteen equivalent F(1)Lu4 tetrahedra, edges with six equivalent F(1)Lu4 tetrahedra, and faces with four equivalent F(2)Lu6 octahedra. The corner-sharing octahedral tilt angles are 55°. In the second F site, F(2) is bonded to six equivalent Lu(1) atoms to form FLu6 octahedra that share corners with six equivalent F(2)Lu6 octahedra, corners with twenty-four equivalent F(1)Lu4 tetrahedra, edges with twelve equivalent F(2)Lu6 octahedra, and faces with eight equivalent F(1)Lu4 tetrahedra. The corner-sharing octahedra are not tilted. is represented by the CIF file [CIF]
data_LuF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.874
_cell_length_b   3.874
_cell_length_c   3.874
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   41.104
_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
  Lu  Lu0  1  0.000  0.000  0.000  1.0
  F  F1  1  0.250  0.250  0.250  1.0
  F  F2  1  0.750  0.750  0.750  1.0
  F  F3  1  0.500  0.500  0.500  1.0
[/CIF]
.