The compound described by Li3AsF6 crystallizes in the triclinic P-1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a square co-planar geometry to two equivalent F(2) and two equivalent F(3) atoms. In the second Li site, Li(2) is bonded in a square co-planar geometry to two equivalent F(1) and two equivalent F(3) atoms. In the third Li site, Li(3) is bonded in a square co-planar geometry to two equivalent F(1) and two equivalent F(2) atoms. As(1) is bonded in an octahedral geometry to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms. There are three inequivalent F sites. In the first F site, F(1) is bonded in a distorted T-shaped geometry to one Li(2), one Li(3), and one As(1) atom. In the second F site, F(2) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Li(3), and one As(1) atom. In the third F site, F(3) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Li(2), and one As(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li3AsF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.547
_cell_length_b   6.037
_cell_length_c   7.307
_cell_angle_alpha   53.795
_cell_angle_beta   135.445
_cell_angle_gamma   119.577
_symmetry_Int_Tables_number   1
_cell_volume   137.374
_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
  Li  Li0  1  0.000  0.000  0.500  1.0
  Li  Li1  1  0.500  0.500  0.000  1.0
  Li  Li2  1  0.000  0.500  0.000  1.0
  As  As3  1  0.000  0.000  0.000  1.0
  F  F4  1  0.996  0.429  0.769  1.0
  F  F5  1  0.004  0.571  0.231  1.0
  F  F6  1  0.878  0.867  0.737  1.0
  F  F7  1  0.122  0.133  0.263  1.0
  F  F8  1  0.489  0.884  0.851  1.0
  F  F9  1  0.511  0.116  0.149  1.0
[/CIF]
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The compound described by Li3AsF6 crystallizes in the triclinic P-1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a square co-planar geometry to two equivalent F(2) and two equivalent F(3) atoms. In the second Li site, Li(2) is bonded in a square co-planar geometry to two equivalent F(1) and two equivalent F(3) atoms. In the third Li site, Li(3) is bonded in a square co-planar geometry to two equivalent F(1) and two equivalent F(2) atoms. As(1) is bonded in an octahedral geometry to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms. There are three inequivalent F sites. In the first F site, F(1) is bonded in a distorted T-shaped geometry to one Li(2), one Li(3), and one As(1) atom. In the second F site, F(2) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Li(3), and one As(1) atom. In the third F site, F(3) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Li(2), and one As(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li3AsF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.547
_cell_length_b   6.037
_cell_length_c   7.307
_cell_angle_alpha   53.795
_cell_angle_beta   135.445
_cell_angle_gamma   119.577
_symmetry_Int_Tables_number   1
_cell_volume   137.374
_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
  Li  Li0  1  0.000  0.000  0.500  1.0
  Li  Li1  1  0.500  0.500  0.000  1.0
  Li  Li2  1  0.000  0.500  0.000  1.0
  As  As3  1  0.000  0.000  0.000  1.0
  F  F4  1  0.996  0.429  0.769  1.0
  F  F5  1  0.004  0.571  0.231  1.0
  F  F6  1  0.878  0.867  0.737  1.0
  F  F7  1  0.122  0.133  0.263  1.0
  F  F8  1  0.489  0.884  0.851  1.0
  F  F9  1  0.511  0.116  0.149  1.0
[/CIF]
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