data_Ba2VRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.74
_cell_length_b   6.74
_cell_length_c   6.74
_cell_angle_alpha   146.81
_cell_angle_beta   131.42
_cell_angle_gamma   60.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2VRh
_chemical_formula_sum   'Ba2 V1 Rh1'
_cell_volume   124.37
_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  0.0  0.77  0.66  1.0
  Ba  Ba1  1  0.0  0.0  0.21  1.0
  V  V3  1  0.0  0.0  0.87  1.0
  Rh  Rh2  1  0.0  0.77  0.75  1.0

data_Ba2VRh
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.85
_cell_length_b   5.54
_cell_length_c   6.74
_cell_angle_alpha   114.29
_cell_angle_beta   106.6
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2VRh
_chemical_formula_sum   'Ba2 V1 Rh1'
_cell_volume   124.37
_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  0.0  0.21  0.21  1.0
  Ba  Ba1  1  0.23  0.89  0.89  1.0
  V  V2  1  0.0  0.87  0.87  1.0
  Rh  Rh3  1  0.23  0.98  0.98  1.0

Ba Ba V Rh
Ba Ba V Rh 0 3 o o o 0 2 o + o 1 3 o - - 1 2 o o - 2 3 o - o 
Ba2VRh crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Ba2VRh cluster. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 2-coordinate geometry to one V(1) and one Rh(1) atom. The Ba(1)-V(1) bond length is 0.85 Å. The Ba(1)-Rh(1) bond length is 0.63 Å. In the second Ba site, Ba(2) is bonded in a 1-coordinate geometry to one Rh(1) atom. The Ba(2)-Rh(1) bond length is 2.01 Å. V(1) is bonded in a 2-coordinate geometry to one Ba(1) and one Rh(1) atom. The V(1)-Rh(1) bond length is 1.00 Å. Rh(1) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(2), and one V(1) atom.