The material described by In3AsF6 crystallizes in the triclinic P-1 space group. There are three inequivalent In sites. In the first In site, In(1) is bonded in a 4-coordinate geometry to two equivalent F(1) and two equivalent F(2) atoms. In the second In site, In(2) is bonded in a linear geometry to two equivalent F(3) atoms. In the third In site, In(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 In(1), one In(3), and one As(1) atom. In the second F site, F(2) is bonded in a single-bond geometry to one In(1) and one As(1) atom. In the third F site, F(3) is bonded in a distorted L-shaped geometry to one In(2) and one As(1) atom. is represented by the CIF card [CIF]
data_In3AsF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.316
_cell_length_b   7.062
_cell_length_c   7.057
_cell_angle_alpha   80.787
_cell_angle_beta   106.875
_cell_angle_gamma   126.691
_symmetry_Int_Tables_number   1
_cell_volume   317.954
_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
  In  In0  1  0.000  0.000  0.500  1.0
  In  In1  1  0.500  0.500  0.000  1.0
  In  In2  1  0.000  0.500  0.000  1.0
  As  As3  1  0.000  0.000  0.000  1.0
  F  F4  1  0.032  0.251  0.782  1.0
  F  F5  1  0.968  0.749  0.218  1.0
  F  F6  1  0.809  0.721  0.790  1.0
  F  F7  1  0.191  0.279  0.210  1.0
  F  F8  1  0.753  0.961  0.059  1.0
  F  F9  1  0.247  0.039  0.941  1.0
[/CIF]
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The material described by In3AsF6 crystallizes in the triclinic P-1 space group. There are three inequivalent In sites. In the first In site, In(1) is bonded in a 4-coordinate geometry to two equivalent F(1) and two equivalent F(2) atoms. In the second In site, In(2) is bonded in a linear geometry to two equivalent F(3) atoms. In the third In site, In(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 In(1), one In(3), and one As(1) atom. In the second F site, F(2) is bonded in a single-bond geometry to one In(1) and one As(1) atom. In the third F site, F(3) is bonded in a distorted L-shaped geometry to one In(2) and one As(1) atom. is represented by the CIF card [CIF]
data_In3AsF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.316
_cell_length_b   7.062
_cell_length_c   7.057
_cell_angle_alpha   80.787
_cell_angle_beta   106.875
_cell_angle_gamma   126.691
_symmetry_Int_Tables_number   1
_cell_volume   317.954
_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
  In  In0  1  0.000  0.000  0.500  1.0
  In  In1  1  0.500  0.500  0.000  1.0
  In  In2  1  0.000  0.500  0.000  1.0
  As  As3  1  0.000  0.000  0.000  1.0
  F  F4  1  0.032  0.251  0.782  1.0
  F  F5  1  0.968  0.749  0.218  1.0
  F  F6  1  0.809  0.721  0.790  1.0
  F  F7  1  0.191  0.279  0.210  1.0
  F  F8  1  0.753  0.961  0.059  1.0
  F  F9  1  0.247  0.039  0.941  1.0
[/CIF]
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