The material described by K2AgGaCl6 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 Ga(1)Cl6 octahedra. Ag(1) is bonded to six equivalent Cl(1) atoms to form AgCl6 octahedra that share corners with six equivalent Ga(1)Cl6 octahedra and faces with eight equivalent K(1)Cl12 cuboctahedra. The corner-sharing octahedra are not tilted. Ga(1) is bonded to six equivalent Cl(1) atoms to form GaCl6 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 to four equivalent K(1), one Ag(1), and one Ga(1) atom to form a mixture of distorted edge, corner, and face-sharing ClK4GaAg octahedra. The corner-sharing octahedral tilt angles range from 0-60°. is represented by the CIF file [CIF]
data_K2GaAgCl6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.230
_cell_length_b   7.230
_cell_length_c   7.230
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   267.262
_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
  Ga  Ga2  1  0.000  0.000  0.000  1.0
  Ag  Ag3  1  0.500  0.500  0.500  1.0
  Cl  Cl4  1  0.765  0.235  0.235  1.0
  Cl  Cl5  1  0.235  0.235  0.765  1.0
  Cl  Cl6  1  0.235  0.765  0.765  1.0
  Cl  Cl7  1  0.235  0.765  0.235  1.0
  Cl  Cl8  1  0.765  0.235  0.765  1.0
  Cl  Cl9  1  0.765  0.765  0.235  1.0
[/CIF]
.
The material described by K2AgGaCl6 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 Ga(1)Cl6 octahedra. Ag(1) is bonded to six equivalent Cl(1) atoms to form AgCl6 octahedra that share corners with six equivalent Ga(1)Cl6 octahedra and faces with eight equivalent K(1)Cl12 cuboctahedra. The corner-sharing octahedra are not tilted. Ga(1) is bonded to six equivalent Cl(1) atoms to form GaCl6 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 to four equivalent K(1), one Ag(1), and one Ga(1) atom to form a mixture of distorted edge, corner, and face-sharing ClK4GaAg octahedra. The corner-sharing octahedral tilt angles range from 0-60°. is represented by the CIF file [CIF]
data_K2GaAgCl6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.230
_cell_length_b   7.230
_cell_length_c   7.230
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   267.262
_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
  Ga  Ga2  1  0.000  0.000  0.000  1.0
  Ag  Ag3  1  0.500  0.500  0.500  1.0
  Cl  Cl4  1  0.765  0.235  0.235  1.0
  Cl  Cl5  1  0.235  0.235  0.765  1.0
  Cl  Cl6  1  0.235  0.765  0.765  1.0
  Cl  Cl7  1  0.235  0.765  0.235  1.0
  Cl  Cl8  1  0.765  0.235  0.765  1.0
  Cl  Cl9  1  0.765  0.765  0.235  1.0
[/CIF]
.