The compound described by AlF3 crystallizes in the monoclinic C2/c space group. Al(1) is bonded to two equivalent F(1) and four equivalent F(2) atoms to form corner-sharing AlF6 octahedra. The corner-sharing octahedral tilt angles range from 4-26°. There are two inequivalent F sites. In the first F site, F(1) is bonded in a linear geometry to two equivalent Al(1) atoms. In the second F site, F(2) is bonded in a bent 150 degrees geometry to two equivalent Al(1) atoms. is represented by the CIF card [CIF]
data_AlF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.829
_cell_length_b   7.248
_cell_length_c   5.099
_cell_angle_alpha   135.620
_cell_angle_beta   149.958
_cell_angle_gamma   34.347
_symmetry_Int_Tables_number   1
_cell_volume   92.173
_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  1.000  1.0
  Al  Al1  1  0.500  0.250  1.000  1.0
  F  F2  1  0.487  0.000  0.975  1.0
  F  F3  1  0.007  0.931  0.392  1.0
  F  F4  1  0.385  0.069  0.392  1.0
  F  F5  1  0.514  0.500  0.028  1.0
  F  F6  1  0.993  0.568  0.606  1.0
  F  F7  1  0.613  0.432  0.606  1.0
[/CIF]
.
The compound described by AlF3 crystallizes in the monoclinic C2/c space group. Al(1) is bonded to two equivalent F(1) and four equivalent F(2) atoms to form corner-sharing AlF6 octahedra. The corner-sharing octahedral tilt angles range from 4-26°. There are two inequivalent F sites. In the first F site, F(1) is bonded in a linear geometry to two equivalent Al(1) atoms. In the second F site, F(2) is bonded in a bent 150 degrees geometry to two equivalent Al(1) atoms. is represented by the CIF card [CIF]
data_AlF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.829
_cell_length_b   7.248
_cell_length_c   5.099
_cell_angle_alpha   135.620
_cell_angle_beta   149.958
_cell_angle_gamma   34.347
_symmetry_Int_Tables_number   1
_cell_volume   92.173
_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  1.000  1.0
  Al  Al1  1  0.500  0.250  1.000  1.0
  F  F2  1  0.487  0.000  0.975  1.0
  F  F3  1  0.007  0.931  0.392  1.0
  F  F4  1  0.385  0.069  0.392  1.0
  F  F5  1  0.514  0.500  0.028  1.0
  F  F6  1  0.993  0.568  0.606  1.0
  F  F7  1  0.613  0.432  0.606  1.0
[/CIF]
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