data_BaV2Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.15
_cell_length_b   3.15
_cell_length_c   8.07
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaV2Rh
_chemical_formula_sum   'Ba1 V2 Rh1'
_cell_volume   80.06
_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
  Ba  Ba0  1  0.57  0.57  0.12  1.0
  V  V2  1  0.57  0.57  0.05  1.0
  V  V3  1  0.0  0.0  0.29  1.0
  Rh  Rh1  1  0.0  0.0  0.71  1.0

data_BaV2Rh
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.45
_cell_length_b   4.45
_cell_length_c   8.07
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BaV2Rh
_chemical_formula_sum   'Ba2 V4 Rh2'
_cell_volume   160.12
_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
  Ba  Ba0  2  0.07  0.5  0.12  1.0
  V  V1  2  0.0  0.0  0.29  1.0
  V  V2  2  0.07  0.5  0.05  1.0
  Rh  Rh3  2  0.0  0.0  0.71  1.0

Ba V V Rh
BaV2Rh crystallizes in the monoclinic Cm space group. Ba(1) is bonded in a single-bond geometry to one V(1) and four equivalent V(2) atoms. The Ba(1)-V(1) bond length is 0.61 Å. There are a spread of Ba(1)-V(2) bond distances ranging from 2.34-2.91 Å. There are two inequivalent V sites. In the first V site, V(1) is bonded in a single-bond geometry to one Ba(1) and three equivalent Rh(1) atoms. There is one shorter (3.28 Å) and two longer (3.50 Å) V(1)-Rh(1) bond lengths. In the second V site, V(2) is bonded in a 5-coordinate geometry to four equivalent Ba(1) and one Rh(1) atom. The V(2)-Rh(1) bond length is 3.40 Å. Rh(1) is bonded in a 8-coordinate geometry to one V(2), three equivalent V(1), and four equivalent Rh(1) atoms. All Rh(1)-Rh(1) bond lengths are 3.15 Å.