data_RuRhBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.26
_cell_length_b   3.26
_cell_length_c   6.48
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   RuRhBr2
_chemical_formula_sum   'Ru1 Rh1 Br2'
_cell_volume   68.94
_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
  Ru  Ru3  1  0.0  0.0  0.0  1.0
  Rh  Rh2  1  0.0  0.0  0.24  1.0
  Br  Br0  1  0.63  0.63  0.59  1.0
  Br  Br1  1  0.63  0.63  0.89  1.0

data_RuRhBr2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.61
_cell_length_b   4.61
_cell_length_c   6.48
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   RuRhBr2
_chemical_formula_sum   'Ru2 Rh2 Br4'
_cell_volume   137.87
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Ru  Ru0  2  0.0  0.0  0.0  1.0
  Rh  Rh1  2  0.0  0.0  0.24  1.0
  Br  Br2  2  0.13  0.5  0.59  1.0
  Br  Br3  2  0.13  0.5  0.89  1.0

Ru Rh Br Br
Ru Rh Br Br 0 3 - - - 0 1 o o o 2 3 o o o 
RuRhBr2 crystallizes in the monoclinic Cm space group. Ru(1) is bonded in a 5-coordinate geometry to one Rh(1) and four equivalent Br(2) atoms. The Ru(1)-Rh(1) bond length is 1.56 Å. There are a spread of Ru(1)-Br(2) bond distances ranging from 1.85-3.00 Å. Rh(1) is bonded in a 2-coordinate geometry to one Ru(1) and one Br(1) atom. The Rh(1)-Br(1) bond length is 2.85 Å. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded in a distorted bent 150 degrees geometry to one Rh(1) and one Br(2) atom. The Br(1)-Br(2) bond length is 1.90 Å. In the second Br site, Br(2) is bonded in a 1-coordinate geometry to four equivalent Ru(1) and one Br(1) atom.