The compound described by K2ScAuBr6 crystallizes in the cubic Fm-3m space group. K(1) is bonded to twelve equivalent Br(1) atoms to form KBr12 cuboctahedra that share corners with twelve equivalent K(1)Br12 cuboctahedra, faces with six equivalent K(1)Br12 cuboctahedra, faces with four equivalent Sc(1)Br6 octahedra, and faces with four equivalent Au(1)Br6 octahedra. Sc(1) is bonded to six equivalent Br(1) atoms to form ScBr6 octahedra that share corners with six equivalent Au(1)Br6 octahedra and faces with eight equivalent K(1)Br12 cuboctahedra. The corner-sharing octahedra are not tilted. Au(1) is bonded to six equivalent Br(1) atoms to form AuBr6 octahedra that share corners with six equivalent Sc(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 2-coordinate geometry to four equivalent K(1), one Sc(1), and one Au(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_K2ScAuBr6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.779
_cell_length_b   7.779
_cell_length_c   7.779
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   332.863
_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
  Sc  Sc2  1  0.000  0.000  0.000  1.0
  Au  Au3  1  0.500  0.500  0.500  1.0
  Br  Br4  1  0.758  0.242  0.242  1.0
  Br  Br5  1  0.242  0.242  0.758  1.0
  Br  Br6  1  0.242  0.758  0.758  1.0
  Br  Br7  1  0.242  0.758  0.242  1.0
  Br  Br8  1  0.758  0.242  0.758  1.0
  Br  Br9  1  0.758  0.758  0.242  1.0
[/CIF]
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The compound described by K2ScAuBr6 crystallizes in the cubic Fm-3m space group. K(1) is bonded to twelve equivalent Br(1) atoms to form KBr12 cuboctahedra that share corners with twelve equivalent K(1)Br12 cuboctahedra, faces with six equivalent K(1)Br12 cuboctahedra, faces with four equivalent Sc(1)Br6 octahedra, and faces with four equivalent Au(1)Br6 octahedra. Sc(1) is bonded to six equivalent Br(1) atoms to form ScBr6 octahedra that share corners with six equivalent Au(1)Br6 octahedra and faces with eight equivalent K(1)Br12 cuboctahedra. The corner-sharing octahedra are not tilted. Au(1) is bonded to six equivalent Br(1) atoms to form AuBr6 octahedra that share corners with six equivalent Sc(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 2-coordinate geometry to four equivalent K(1), one Sc(1), and one Au(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_K2ScAuBr6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.779
_cell_length_b   7.779
_cell_length_c   7.779
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   332.863
_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
  Sc  Sc2  1  0.000  0.000  0.000  1.0
  Au  Au3  1  0.500  0.500  0.500  1.0
  Br  Br4  1  0.758  0.242  0.242  1.0
  Br  Br5  1  0.242  0.242  0.758  1.0
  Br  Br6  1  0.242  0.758  0.758  1.0
  Br  Br7  1  0.242  0.758  0.242  1.0
  Br  Br8  1  0.758  0.242  0.758  1.0
  Br  Br9  1  0.758  0.758  0.242  1.0
[/CIF]
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