The material structure described by Ce3GaBr3 crystallizes in the cubic Pm-3m space group. Ce(1) is bonded to two equivalent Ga(1) and four equivalent Br(1) atoms to form a mixture of edge and corner-sharing CeGa2Br4 octahedra. The corner-sharing octahedra are not tilted. Ga(1) is bonded to six equivalent Ce(1) atoms to form corner-sharing GaCe6 octahedra. The corner-sharing octahedra are not tilted. Br(1) is bonded in a square co-planar geometry to four equivalent Ce(1) atoms. is represented by the CIF file [CIF]
data_Ce3GaBr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.080
_cell_length_b   6.080
_cell_length_c   6.080
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   224.796
_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
  Ce  Ce0  1  0.000  0.500  0.500  1.0
  Ce  Ce1  1  0.500  0.500  0.000  1.0
  Ce  Ce2  1  0.500  0.000  0.500  1.0
  Ga  Ga3  1  0.500  0.500  0.500  1.0
  Br  Br4  1  0.000  0.500  0.000  1.0
  Br  Br5  1  0.500  0.000  0.000  1.0
  Br  Br6  1  0.000  0.000  0.500  1.0
[/CIF]
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The material structure described by Ce3GaBr3 crystallizes in the cubic Pm-3m space group. Ce(1) is bonded to two equivalent Ga(1) and four equivalent Br(1) atoms to form a mixture of edge and corner-sharing CeGa2Br4 octahedra. The corner-sharing octahedra are not tilted. Ga(1) is bonded to six equivalent Ce(1) atoms to form corner-sharing GaCe6 octahedra. The corner-sharing octahedra are not tilted. Br(1) is bonded in a square co-planar geometry to four equivalent Ce(1) atoms. is represented by the CIF file [CIF]
data_Ce3GaBr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.080
_cell_length_b   6.080
_cell_length_c   6.080
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   224.796
_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
  Ce  Ce0  1  0.000  0.500  0.500  1.0
  Ce  Ce1  1  0.500  0.500  0.000  1.0
  Ce  Ce2  1  0.500  0.000  0.500  1.0
  Ga  Ga3  1  0.500  0.500  0.500  1.0
  Br  Br4  1  0.000  0.500  0.000  1.0
  Br  Br5  1  0.500  0.000  0.000  1.0
  Br  Br6  1  0.000  0.000  0.500  1.0
[/CIF]
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