The crystal structure described by Cs2SbBr6 crystallizes in the cubic Fm-3m space group. Cs(1) is bonded to twelve equivalent Br(1) atoms to form CsBr12 cuboctahedra that share corners with twelve equivalent Cs(1)Br12 cuboctahedra, faces with six equivalent Cs(1)Br12 cuboctahedra, and faces with four equivalent Sb(1)Br6 octahedra. Sb(1) is bonded to six equivalent Br(1) atoms to form SbBr6 octahedra that share faces with eight equivalent Cs(1)Br12 cuboctahedra. Br(1) is bonded to four equivalent Cs(1) and one Sb(1) atom to form a mixture of distorted face, corner, and edge-sharing BrCs4Sb square pyramids. is represented by the CIF card [CIF]
data_Cs2SbBr6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.763
_cell_length_b   7.763
_cell_length_c   7.763
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   330.830
_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
  Cs  Cs0  1  0.750  0.750  0.750  1.0
  Cs  Cs1  1  0.250  0.250  0.250  1.0
  Sb  Sb2  1  0.500  0.500  0.500  1.0
  Br  Br3  1  0.254  0.254  0.746  1.0
  Br  Br4  1  0.746  0.746  0.254  1.0
  Br  Br5  1  0.746  0.254  0.746  1.0
  Br  Br6  1  0.254  0.746  0.254  1.0
  Br  Br7  1  0.746  0.254  0.254  1.0
  Br  Br8  1  0.254  0.746  0.746  1.0
[/CIF]
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The crystal structure described by Cs2SbBr6 crystallizes in the cubic Fm-3m space group. Cs(1) is bonded to twelve equivalent Br(1) atoms to form CsBr12 cuboctahedra that share corners with twelve equivalent Cs(1)Br12 cuboctahedra, faces with six equivalent Cs(1)Br12 cuboctahedra, and faces with four equivalent Sb(1)Br6 octahedra. Sb(1) is bonded to six equivalent Br(1) atoms to form SbBr6 octahedra that share faces with eight equivalent Cs(1)Br12 cuboctahedra. Br(1) is bonded to four equivalent Cs(1) and one Sb(1) atom to form a mixture of distorted face, corner, and edge-sharing BrCs4Sb square pyramids. is represented by the CIF card [CIF]
data_Cs2SbBr6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.763
_cell_length_b   7.763
_cell_length_c   7.763
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   330.830
_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
  Cs  Cs0  1  0.750  0.750  0.750  1.0
  Cs  Cs1  1  0.250  0.250  0.250  1.0
  Sb  Sb2  1  0.500  0.500  0.500  1.0
  Br  Br3  1  0.254  0.254  0.746  1.0
  Br  Br4  1  0.746  0.746  0.254  1.0
  Br  Br5  1  0.746  0.254  0.746  1.0
  Br  Br6  1  0.254  0.746  0.254  1.0
  Br  Br7  1  0.746  0.254  0.254  1.0
  Br  Br8  1  0.254  0.746  0.746  1.0
[/CIF]
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