The material described by TmF3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. Tm(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 Tm(1) atoms to form FTm4 tetrahedra that share corners with twelve equivalent F(2)Tm6 octahedra, corners with sixteen equivalent F(1)Tm4 tetrahedra, edges with six equivalent F(1)Tm4 tetrahedra, and faces with four equivalent F(2)Tm6 octahedra. The corner-sharing octahedral tilt angles are 55°. In the second F site, F(2) is bonded to six equivalent Tm(1) atoms to form FTm6 octahedra that share corners with six equivalent F(2)Tm6 octahedra, corners with twenty-four equivalent F(1)Tm4 tetrahedra, edges with twelve equivalent F(2)Tm6 octahedra, and faces with eight equivalent F(1)Tm4 tetrahedra. The corner-sharing octahedra are not tilted. is represented by the CIF file [CIF]
data_TmF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.837
_cell_length_b   3.837
_cell_length_c   3.837
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   39.937
_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
  Tm  Tm0  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 described by TmF3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. Tm(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 Tm(1) atoms to form FTm4 tetrahedra that share corners with twelve equivalent F(2)Tm6 octahedra, corners with sixteen equivalent F(1)Tm4 tetrahedra, edges with six equivalent F(1)Tm4 tetrahedra, and faces with four equivalent F(2)Tm6 octahedra. The corner-sharing octahedral tilt angles are 55°. In the second F site, F(2) is bonded to six equivalent Tm(1) atoms to form FTm6 octahedra that share corners with six equivalent F(2)Tm6 octahedra, corners with twenty-four equivalent F(1)Tm4 tetrahedra, edges with twelve equivalent F(2)Tm6 octahedra, and faces with eight equivalent F(1)Tm4 tetrahedra. The corner-sharing octahedra are not tilted. is represented by the CIF file [CIF]
data_TmF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.837
_cell_length_b   3.837
_cell_length_c   3.837
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   39.937
_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
  Tm  Tm0  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]
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