The material described by AlF3 crystallizes in the trigonal R-3c space group. Al(1) is bonded to six equivalent F(1) atoms to form corner-sharing AlF6 octahedra. The corner-sharing octahedral tilt angles are 27°. F(1) is bonded in a bent 150 degrees geometry to two equivalent Al(1) atoms. is represented by the CIF file [CIF]
data_AlF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.774
_cell_length_b   6.995
_cell_length_c   5.018
_cell_angle_alpha   135.844
_cell_angle_beta   150.950
_cell_angle_gamma   34.845
_symmetry_Int_Tables_number   1
_cell_volume   85.434
_cell_formula_units_Z   2
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
  Al  Al0  1  0.500  0.750  0.000  1.0
  Al  Al1  1  0.500  0.250  1.000  1.0
  F  F2  1  0.413  1.000  0.825  1.0
  F  F3  1  0.000  0.912  0.412  1.0
  F  F4  1  0.412  0.088  0.412  1.0
  F  F5  1  0.588  0.500  0.176  1.0
  F  F6  1  0.000  0.587  0.588  1.0
  F  F7  1  0.588  0.412  0.588  1.0
[/CIF]
.
The material described by AlF3 crystallizes in the trigonal R-3c space group. Al(1) is bonded to six equivalent F(1) atoms to form corner-sharing AlF6 octahedra. The corner-sharing octahedral tilt angles are 27°. F(1) is bonded in a bent 150 degrees geometry to two equivalent Al(1) atoms. is represented by the CIF file [CIF]
data_AlF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.774
_cell_length_b   6.995
_cell_length_c   5.018
_cell_angle_alpha   135.844
_cell_angle_beta   150.950
_cell_angle_gamma   34.845
_symmetry_Int_Tables_number   1
_cell_volume   85.434
_cell_formula_units_Z   2
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
  Al  Al0  1  0.500  0.750  0.000  1.0
  Al  Al1  1  0.500  0.250  1.000  1.0
  F  F2  1  0.413  1.000  0.825  1.0
  F  F3  1  0.000  0.912  0.412  1.0
  F  F4  1  0.412  0.088  0.412  1.0
  F  F5  1  0.588  0.500  0.176  1.0
  F  F6  1  0.000  0.587  0.588  1.0
  F  F7  1  0.588  0.412  0.588  1.0
[/CIF]
.