The material structure described by Rh3Br is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Rh sites. In the first Rh site, Rh(1) is bonded in a 4-coordinate geometry to four equivalent Rh(2) and four equivalent Br(1) atoms. In the second Rh site, Rh(2) is bonded to eight equivalent Rh(1) and four equivalent Br(1) atoms to form RhRh8Br4 cuboctahedra that share corners with four equivalent Rh(2)Rh8Br4 cuboctahedra, corners with eight equivalent Br(1)Rh12 cuboctahedra, edges with eight equivalent Rh(2)Rh8Br4 cuboctahedra, faces with four equivalent Rh(2)Rh8Br4 cuboctahedra, and faces with six equivalent Br(1)Rh12 cuboctahedra. Br(1) is bonded to four equivalent Rh(2) and eight equivalent Rh(1) atoms to form BrRh12 cuboctahedra that share corners with four equivalent Br(1)Rh12 cuboctahedra, corners with eight equivalent Rh(2)Rh8Br4 cuboctahedra, edges with eight equivalent Br(1)Rh12 cuboctahedra, faces with four equivalent Br(1)Rh12 cuboctahedra, and faces with six equivalent Rh(2)Rh8Br4 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Rh3Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.604
_cell_length_b   4.604
_cell_length_c   4.604
_cell_angle_alpha   126.024
_cell_angle_beta   126.024
_cell_angle_gamma   79.849
_symmetry_Int_Tables_number   1
_cell_volume   61.649
_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
  Rh  Rh0  1  0.750  0.250  0.500  1.0
  Rh  Rh1  1  0.250  0.750  0.500  1.0
  Rh  Rh2  1  0.500  0.500  0.000  1.0
  Br  Br3  1  0.000  0.000  0.000  1.0
[/CIF]
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The material structure described by Rh3Br is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Rh sites. In the first Rh site, Rh(1) is bonded in a 4-coordinate geometry to four equivalent Rh(2) and four equivalent Br(1) atoms. In the second Rh site, Rh(2) is bonded to eight equivalent Rh(1) and four equivalent Br(1) atoms to form RhRh8Br4 cuboctahedra that share corners with four equivalent Rh(2)Rh8Br4 cuboctahedra, corners with eight equivalent Br(1)Rh12 cuboctahedra, edges with eight equivalent Rh(2)Rh8Br4 cuboctahedra, faces with four equivalent Rh(2)Rh8Br4 cuboctahedra, and faces with six equivalent Br(1)Rh12 cuboctahedra. Br(1) is bonded to four equivalent Rh(2) and eight equivalent Rh(1) atoms to form BrRh12 cuboctahedra that share corners with four equivalent Br(1)Rh12 cuboctahedra, corners with eight equivalent Rh(2)Rh8Br4 cuboctahedra, edges with eight equivalent Br(1)Rh12 cuboctahedra, faces with four equivalent Br(1)Rh12 cuboctahedra, and faces with six equivalent Rh(2)Rh8Br4 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Rh3Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.604
_cell_length_b   4.604
_cell_length_c   4.604
_cell_angle_alpha   126.024
_cell_angle_beta   126.024
_cell_angle_gamma   79.849
_symmetry_Int_Tables_number   1
_cell_volume   61.649
_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
  Rh  Rh0  1  0.750  0.250  0.500  1.0
  Rh  Rh1  1  0.250  0.750  0.500  1.0
  Rh  Rh2  1  0.500  0.500  0.000  1.0
  Br  Br3  1  0.000  0.000  0.000  1.0
[/CIF]
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