The compound described by Ag3InF6 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Ag sites. In the first Ag site, Ag(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form AgF6 octahedra that share corners with six equivalent In(1)F6 octahedra and corners with eight equivalent Ag(2)F4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 37-44°. In the second Ag site, Ag(2) is bonded to one F(1), one F(3), and two equivalent F(2) atoms to form distorted AgF4 trigonal pyramids that share corners with four equivalent Ag(1)F6 octahedra, corners with four equivalent In(1)F6 octahedra, and corners with two equivalent Ag(2)F4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 52-93°. In(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form InF6 octahedra that share corners with six equivalent Ag(1)F6 octahedra and corners with eight equivalent Ag(2)F4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 37-44°. There are three inequivalent F sites. In the first F site, F(1) is bonded in a 3-coordinate geometry to one Ag(1), one Ag(2), and one In(1) atom. In the second F site, F(2) is bonded to one Ag(1), two equivalent Ag(2), and one In(1) atom to form distorted corner-sharing FInAg3 trigonal pyramids. In the third F site, F(3) is bonded in a 3-coordinate geometry to one Ag(1), one Ag(2), and one In(1) atom. is represented by the CIF file [CIF]
data_InAg3F6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.053
_cell_length_b   6.144
_cell_length_c   8.681
_cell_angle_alpha   90.000
_cell_angle_beta   90.640
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   322.836
_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
  In  In0  1  0.000  0.000  0.000  1.0
  In  In1  1  0.500  0.500  0.500  1.0
  Ag  Ag2  1  0.000  0.000  0.500  1.0
  Ag  Ag3  1  0.500  0.500  0.000  1.0
  Ag  Ag4  1  0.985  0.558  0.256  1.0
  Ag  Ag5  1  0.015  0.442  0.744  1.0
  Ag  Ag6  1  0.515  0.058  0.244  1.0
  Ag  Ag7  1  0.485  0.942  0.756  1.0
  F  F8  1  0.841  0.286  0.077  1.0
  F  F9  1  0.159  0.714  0.923  1.0
  F  F10  1  0.659  0.786  0.423  1.0
  F  F11  1  0.341  0.214  0.577  1.0
  F  F12  1  0.126  0.932  0.225  1.0
  F  F13  1  0.874  0.068  0.775  1.0
  F  F14  1  0.374  0.432  0.275  1.0
  F  F15  1  0.626  0.568  0.725  1.0
  F  F16  1  0.710  0.828  0.058  1.0
  F  F17  1  0.290  0.172  0.942  1.0
  F  F18  1  0.790  0.328  0.442  1.0
  F  F19  1  0.210  0.672  0.558  1.0
[/CIF]
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The compound described by Ag3InF6 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Ag sites. In the first Ag site, Ag(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form AgF6 octahedra that share corners with six equivalent In(1)F6 octahedra and corners with eight equivalent Ag(2)F4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 37-44°. In the second Ag site, Ag(2) is bonded to one F(1), one F(3), and two equivalent F(2) atoms to form distorted AgF4 trigonal pyramids that share corners with four equivalent Ag(1)F6 octahedra, corners with four equivalent In(1)F6 octahedra, and corners with two equivalent Ag(2)F4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 52-93°. In(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form InF6 octahedra that share corners with six equivalent Ag(1)F6 octahedra and corners with eight equivalent Ag(2)F4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 37-44°. There are three inequivalent F sites. In the first F site, F(1) is bonded in a 3-coordinate geometry to one Ag(1), one Ag(2), and one In(1) atom. In the second F site, F(2) is bonded to one Ag(1), two equivalent Ag(2), and one In(1) atom to form distorted corner-sharing FInAg3 trigonal pyramids. In the third F site, F(3) is bonded in a 3-coordinate geometry to one Ag(1), one Ag(2), and one In(1) atom. is represented by the CIF file [CIF]
data_InAg3F6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.053
_cell_length_b   6.144
_cell_length_c   8.681
_cell_angle_alpha   90.000
_cell_angle_beta   90.640
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   322.836
_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
  In  In0  1  0.000  0.000  0.000  1.0
  In  In1  1  0.500  0.500  0.500  1.0
  Ag  Ag2  1  0.000  0.000  0.500  1.0
  Ag  Ag3  1  0.500  0.500  0.000  1.0
  Ag  Ag4  1  0.985  0.558  0.256  1.0
  Ag  Ag5  1  0.015  0.442  0.744  1.0
  Ag  Ag6  1  0.515  0.058  0.244  1.0
  Ag  Ag7  1  0.485  0.942  0.756  1.0
  F  F8  1  0.841  0.286  0.077  1.0
  F  F9  1  0.159  0.714  0.923  1.0
  F  F10  1  0.659  0.786  0.423  1.0
  F  F11  1  0.341  0.214  0.577  1.0
  F  F12  1  0.126  0.932  0.225  1.0
  F  F13  1  0.874  0.068  0.775  1.0
  F  F14  1  0.374  0.432  0.275  1.0
  F  F15  1  0.626  0.568  0.725  1.0
  F  F16  1  0.710  0.828  0.058  1.0
  F  F17  1  0.290  0.172  0.942  1.0
  F  F18  1  0.790  0.328  0.442  1.0
  F  F19  1  0.210  0.672  0.558  1.0
[/CIF]
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