The crystal structure described by K2InGaBr6 crystallizes in the cubic Fm-3m space group. K(1) is bonded to twelve equivalent Br(1) atoms to form distorted KBr12 cuboctahedra that share corners with twelve equivalent K(1)Br12 cuboctahedra, faces with six equivalent K(1)Br12 cuboctahedra, faces with four equivalent In(1)Br6 octahedra, and faces with four equivalent Ga(1)Br6 octahedra. In(1) is bonded to six equivalent Br(1) atoms to form InBr6 octahedra that share corners with six equivalent Ga(1)Br6 octahedra and faces with eight equivalent K(1)Br12 cuboctahedra. The corner-sharing octahedra are not tilted. Ga(1) is bonded to six equivalent Br(1) atoms to form GaBr6 octahedra that share corners with six equivalent In(1)Br6 octahedra and faces with eight equivalent K(1)Br12 cuboctahedra. The corner-sharing octahedra are not tilted. Br(1) is bonded in a linear geometry to four equivalent K(1), one In(1), and one Ga(1) atom. is represented by the CIF card [CIF]
data_K2InGaBr6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.990
_cell_length_b   7.990
_cell_length_c   7.990
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   360.642
_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  0.500  0.500  0.500  1.0
  Ga  Ga3  1  0.000  0.000  0.000  1.0
  Br  Br4  1  0.741  0.259  0.259  1.0
  Br  Br5  1  0.259  0.259  0.741  1.0
  Br  Br6  1  0.259  0.741  0.741  1.0
  Br  Br7  1  0.259  0.741  0.259  1.0
  Br  Br8  1  0.741  0.259  0.741  1.0
  Br  Br9  1  0.741  0.741  0.259  1.0
[/CIF]
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The crystal structure described by K2InGaBr6 crystallizes in the cubic Fm-3m space group. K(1) is bonded to twelve equivalent Br(1) atoms to form distorted KBr12 cuboctahedra that share corners with twelve equivalent K(1)Br12 cuboctahedra, faces with six equivalent K(1)Br12 cuboctahedra, faces with four equivalent In(1)Br6 octahedra, and faces with four equivalent Ga(1)Br6 octahedra. In(1) is bonded to six equivalent Br(1) atoms to form InBr6 octahedra that share corners with six equivalent Ga(1)Br6 octahedra and faces with eight equivalent K(1)Br12 cuboctahedra. The corner-sharing octahedra are not tilted. Ga(1) is bonded to six equivalent Br(1) atoms to form GaBr6 octahedra that share corners with six equivalent In(1)Br6 octahedra and faces with eight equivalent K(1)Br12 cuboctahedra. The corner-sharing octahedra are not tilted. Br(1) is bonded in a linear geometry to four equivalent K(1), one In(1), and one Ga(1) atom. is represented by the CIF card [CIF]
data_K2InGaBr6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.990
_cell_length_b   7.990
_cell_length_c   7.990
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   360.642
_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  0.500  0.500  0.500  1.0
  Ga  Ga3  1  0.000  0.000  0.000  1.0
  Br  Br4  1  0.741  0.259  0.259  1.0
  Br  Br5  1  0.259  0.259  0.741  1.0
  Br  Br6  1  0.259  0.741  0.741  1.0
  Br  Br7  1  0.259  0.741  0.259  1.0
  Br  Br8  1  0.741  0.259  0.741  1.0
  Br  Br9  1  0.741  0.741  0.259  1.0
[/CIF]
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