The material structure described by K2AgInCl6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. K(1) is bonded to twelve equivalent Cl(1) atoms to form KCl12 cuboctahedra that share corners with twelve equivalent K(1)Cl12 cuboctahedra, faces with six equivalent K(1)Cl12 cuboctahedra, faces with four equivalent Ag(1)Cl6 octahedra, and faces with four equivalent In(1)Cl6 octahedra. Ag(1) is bonded to six equivalent Cl(1) atoms to form AgCl6 octahedra that share corners with six equivalent In(1)Cl6 octahedra and faces with eight equivalent K(1)Cl12 cuboctahedra. The corner-sharing octahedra are not tilted. In(1) is bonded to six equivalent Cl(1) atoms to form InCl6 octahedra that share corners with six equivalent Ag(1)Cl6 octahedra and faces with eight equivalent K(1)Cl12 cuboctahedra. The corner-sharing octahedra are not tilted. Cl(1) is bonded in a distorted linear geometry to four equivalent K(1), one Ag(1), and one In(1) atom. is represented by the CIF file [CIF]
data_K2InAgCl6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.422
_cell_length_b   7.422
_cell_length_c   7.422
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   289.147
_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
  K  K0  1  0.750  0.750  0.750  1.0
  K  K1  1  0.250  0.250  0.250  1.0
  In  In2  1  0.000  0.000  0.000  1.0
  Ag  Ag3  1  0.500  0.500  0.500  1.0
  Cl  Cl4  1  0.757  0.243  0.243  1.0
  Cl  Cl5  1  0.243  0.243  0.757  1.0
  Cl  Cl6  1  0.243  0.757  0.757  1.0
  Cl  Cl7  1  0.243  0.757  0.243  1.0
  Cl  Cl8  1  0.757  0.243  0.757  1.0
  Cl  Cl9  1  0.757  0.757  0.243  1.0
[/CIF]
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The material structure described by K2AgInCl6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. K(1) is bonded to twelve equivalent Cl(1) atoms to form KCl12 cuboctahedra that share corners with twelve equivalent K(1)Cl12 cuboctahedra, faces with six equivalent K(1)Cl12 cuboctahedra, faces with four equivalent Ag(1)Cl6 octahedra, and faces with four equivalent In(1)Cl6 octahedra. Ag(1) is bonded to six equivalent Cl(1) atoms to form AgCl6 octahedra that share corners with six equivalent In(1)Cl6 octahedra and faces with eight equivalent K(1)Cl12 cuboctahedra. The corner-sharing octahedra are not tilted. In(1) is bonded to six equivalent Cl(1) atoms to form InCl6 octahedra that share corners with six equivalent Ag(1)Cl6 octahedra and faces with eight equivalent K(1)Cl12 cuboctahedra. The corner-sharing octahedra are not tilted. Cl(1) is bonded in a distorted linear geometry to four equivalent K(1), one Ag(1), and one In(1) atom. is represented by the CIF file [CIF]
data_K2InAgCl6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.422
_cell_length_b   7.422
_cell_length_c   7.422
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   289.147
_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
  K  K0  1  0.750  0.750  0.750  1.0
  K  K1  1  0.250  0.250  0.250  1.0
  In  In2  1  0.000  0.000  0.000  1.0
  Ag  Ag3  1  0.500  0.500  0.500  1.0
  Cl  Cl4  1  0.757  0.243  0.243  1.0
  Cl  Cl5  1  0.243  0.243  0.757  1.0
  Cl  Cl6  1  0.243  0.757  0.757  1.0
  Cl  Cl7  1  0.243  0.757  0.243  1.0
  Cl  Cl8  1  0.757  0.243  0.757  1.0
  Cl  Cl9  1  0.757  0.757  0.243  1.0
[/CIF]
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