The compound described by AlF3 crystallizes in the triclinic P-1 space group. Al(1) is bonded to one F(1), one F(2), two equivalent F(3), and two equivalent F(4) atoms to form a mixture of corner and edge-sharing AlF6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. There are four 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 linear geometry to two equivalent Al(1) atoms. In the third F site, F(3) is bonded in a linear geometry to two equivalent Al(1) atoms. In the fourth F site, F(4) is bonded in a water-like geometry to two equivalent Al(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_AlF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.628
_cell_length_b   5.193
_cell_length_c   5.857
_cell_angle_alpha   65.727
_cell_angle_beta   88.292
_cell_angle_gamma   87.529
_symmetry_Int_Tables_number   1
_cell_volume   100.503
_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  0.000  0.360  0.266  1.0
  Al  Al1  1  1.000  0.640  0.734  1.0
  F  F2  1  0.000  0.000  0.500  1.0
  F  F3  1  0.000  0.500  0.500  1.0
  F  F4  1  0.500  0.645  0.729  1.0
  F  F5  1  0.500  0.355  0.271  1.0
  F  F6  1  0.981  0.721  0.010  1.0
  F  F7  1  0.019  0.279  0.990  1.0
[/CIF]
.
The compound described by AlF3 crystallizes in the triclinic P-1 space group. Al(1) is bonded to one F(1), one F(2), two equivalent F(3), and two equivalent F(4) atoms to form a mixture of corner and edge-sharing AlF6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. There are four 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 linear geometry to two equivalent Al(1) atoms. In the third F site, F(3) is bonded in a linear geometry to two equivalent Al(1) atoms. In the fourth F site, F(4) is bonded in a water-like geometry to two equivalent Al(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_AlF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.628
_cell_length_b   5.193
_cell_length_c   5.857
_cell_angle_alpha   65.727
_cell_angle_beta   88.292
_cell_angle_gamma   87.529
_symmetry_Int_Tables_number   1
_cell_volume   100.503
_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  0.000  0.360  0.266  1.0
  Al  Al1  1  1.000  0.640  0.734  1.0
  F  F2  1  0.000  0.000  0.500  1.0
  F  F3  1  0.000  0.500  0.500  1.0
  F  F4  1  0.500  0.645  0.729  1.0
  F  F5  1  0.500  0.355  0.271  1.0
  F  F6  1  0.981  0.721  0.010  1.0
  F  F7  1  0.019  0.279  0.990  1.0
[/CIF]
.