The crystal structure described by CsAgInF6 crystallizes in the orthorhombic Imma space group. Cs(1) is bonded to one F(1), one F(2), and four equivalent F(3) atoms to form CsF6 octahedra that share corners with six equivalent Ag(1)F6 octahedra and corners with six equivalent In(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 65-71°. Ag(1) is bonded to two equivalent F(2) and four equivalent F(3) atoms to form AgF6 octahedra that share corners with two equivalent Ag(1)F6 octahedra, corners with four equivalent In(1)F6 octahedra, and corners with six equivalent Cs(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 39-71°. In(1) is bonded to two equivalent F(1) and four equivalent F(3) atoms to form InF6 octahedra that share corners with two equivalent In(1)F6 octahedra, corners with four equivalent Ag(1)F6 octahedra, and corners with six equivalent Cs(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 38-71°. There are three inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to one Cs(1) and two equivalent In(1) atoms. In the second F site, F(2) is bonded in a distorted bent 150 degrees geometry to one Cs(1) and two equivalent Ag(1) atoms. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Cs(1), one Ag(1), and one In(1) atom. is represented by the CIF card [CIF]
data_CsInAgF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.071
_cell_length_b   8.071
_cell_length_c   8.071
_cell_angle_alpha   122.187
_cell_angle_beta   119.638
_cell_angle_gamma   88.441
_symmetry_Int_Tables_number   1
_cell_volume   366.222
_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
  Cs  Cs0  1  0.373  0.623  0.750  1.0
  Cs  Cs1  1  0.627  0.377  0.250  1.0
  In  In2  1  0.000  0.000  0.000  1.0
  In  In3  1  0.500  0.000  0.500  1.0
  Ag  Ag4  1  0.000  0.000  0.500  1.0
  Ag  Ag5  1  0.000  0.500  0.000  1.0
  F  F6  1  0.310  0.060  0.250  1.0
  F  F7  1  0.941  0.691  0.250  1.0
  F  F8  1  0.343  0.682  0.264  1.0
  F  F9  1  0.918  0.079  0.236  1.0
  F  F10  1  0.343  0.079  0.661  1.0
  F  F11  1  0.918  0.682  0.839  1.0
  F  F12  1  0.690  0.940  0.750  1.0
  F  F13  1  0.059  0.309  0.750  1.0
  F  F14  1  0.657  0.318  0.736  1.0
  F  F15  1  0.082  0.921  0.764  1.0
  F  F16  1  0.657  0.921  0.339  1.0
  F  F17  1  0.082  0.318  0.161  1.0
[/CIF]
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The crystal structure described by CsAgInF6 crystallizes in the orthorhombic Imma space group. Cs(1) is bonded to one F(1), one F(2), and four equivalent F(3) atoms to form CsF6 octahedra that share corners with six equivalent Ag(1)F6 octahedra and corners with six equivalent In(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 65-71°. Ag(1) is bonded to two equivalent F(2) and four equivalent F(3) atoms to form AgF6 octahedra that share corners with two equivalent Ag(1)F6 octahedra, corners with four equivalent In(1)F6 octahedra, and corners with six equivalent Cs(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 39-71°. In(1) is bonded to two equivalent F(1) and four equivalent F(3) atoms to form InF6 octahedra that share corners with two equivalent In(1)F6 octahedra, corners with four equivalent Ag(1)F6 octahedra, and corners with six equivalent Cs(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 38-71°. There are three inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to one Cs(1) and two equivalent In(1) atoms. In the second F site, F(2) is bonded in a distorted bent 150 degrees geometry to one Cs(1) and two equivalent Ag(1) atoms. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Cs(1), one Ag(1), and one In(1) atom. is represented by the CIF card [CIF]
data_CsInAgF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.071
_cell_length_b   8.071
_cell_length_c   8.071
_cell_angle_alpha   122.187
_cell_angle_beta   119.638
_cell_angle_gamma   88.441
_symmetry_Int_Tables_number   1
_cell_volume   366.222
_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
  Cs  Cs0  1  0.373  0.623  0.750  1.0
  Cs  Cs1  1  0.627  0.377  0.250  1.0
  In  In2  1  0.000  0.000  0.000  1.0
  In  In3  1  0.500  0.000  0.500  1.0
  Ag  Ag4  1  0.000  0.000  0.500  1.0
  Ag  Ag5  1  0.000  0.500  0.000  1.0
  F  F6  1  0.310  0.060  0.250  1.0
  F  F7  1  0.941  0.691  0.250  1.0
  F  F8  1  0.343  0.682  0.264  1.0
  F  F9  1  0.918  0.079  0.236  1.0
  F  F10  1  0.343  0.079  0.661  1.0
  F  F11  1  0.918  0.682  0.839  1.0
  F  F12  1  0.690  0.940  0.750  1.0
  F  F13  1  0.059  0.309  0.750  1.0
  F  F14  1  0.657  0.318  0.736  1.0
  F  F15  1  0.082  0.921  0.764  1.0
  F  F16  1  0.657  0.921  0.339  1.0
  F  F17  1  0.082  0.318  0.161  1.0
[/CIF]
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