The crystal structure described by Tl3AsF6 crystallizes in the triclinic P-1 space group. There are three inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a 4-coordinate geometry to two equivalent F(1) and two equivalent F(2) atoms. In the second Tl site, Tl(2) is bonded in a 4-coordinate geometry to two equivalent F(2) and two equivalent F(3) atoms. In the third Tl site, Tl(3) is bonded in a distorted linear geometry to two equivalent F(1) 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 single-bond geometry to one Tl(1), one Tl(3), and one As(1) atom. In the second F site, F(2) is bonded in a single-bond geometry to one Tl(1), one Tl(2), and one As(1) atom. In the third F site, F(3) is bonded in a single-bond geometry to one Tl(2) and one As(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Tl3AsF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.103
_cell_length_b   7.139
_cell_length_c   7.242
_cell_angle_alpha   98.917
_cell_angle_beta   109.663
_cell_angle_gamma   99.668
_symmetry_Int_Tables_number   1
_cell_volume   331.940
_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
  Tl  Tl0  1  0.000  0.500  0.000  1.0
  Tl  Tl1  1  0.500  0.000  0.000  1.0
  Tl  Tl2  1  0.000  0.000  0.500  1.0
  As  As3  1  0.000  0.000  0.000  1.0
  F  F4  1  0.016  0.784  0.779  1.0
  F  F5  1  0.984  0.216  0.221  1.0
  F  F6  1  0.807  0.799  0.083  1.0
  F  F7  1  0.193  0.201  0.917  1.0
  F  F8  1  0.758  0.079  0.798  1.0
  F  F9  1  0.242  0.921  0.202  1.0
[/CIF]
.
The crystal structure described by Tl3AsF6 crystallizes in the triclinic P-1 space group. There are three inequivalent Tl sites. In the first Tl site, Tl(1) is bonded in a 4-coordinate geometry to two equivalent F(1) and two equivalent F(2) atoms. In the second Tl site, Tl(2) is bonded in a 4-coordinate geometry to two equivalent F(2) and two equivalent F(3) atoms. In the third Tl site, Tl(3) is bonded in a distorted linear geometry to two equivalent F(1) 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 single-bond geometry to one Tl(1), one Tl(3), and one As(1) atom. In the second F site, F(2) is bonded in a single-bond geometry to one Tl(1), one Tl(2), and one As(1) atom. In the third F site, F(3) is bonded in a single-bond geometry to one Tl(2) and one As(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Tl3AsF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.103
_cell_length_b   7.139
_cell_length_c   7.242
_cell_angle_alpha   98.917
_cell_angle_beta   109.663
_cell_angle_gamma   99.668
_symmetry_Int_Tables_number   1
_cell_volume   331.940
_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
  Tl  Tl0  1  0.000  0.500  0.000  1.0
  Tl  Tl1  1  0.500  0.000  0.000  1.0
  Tl  Tl2  1  0.000  0.000  0.500  1.0
  As  As3  1  0.000  0.000  0.000  1.0
  F  F4  1  0.016  0.784  0.779  1.0
  F  F5  1  0.984  0.216  0.221  1.0
  F  F6  1  0.807  0.799  0.083  1.0
  F  F7  1  0.193  0.201  0.917  1.0
  F  F8  1  0.758  0.079  0.798  1.0
  F  F9  1  0.242  0.921  0.202  1.0
[/CIF]
.