data_TiVBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.29
_cell_length_b   3.29
_cell_length_c   8.1
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiVBr2
_chemical_formula_sum   'Ti1 V1 Br2'
_cell_volume   87.73
_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
  Ti  Ti2  1  0.0  0.0  0.32  1.0
  V  V3  1  0.65  0.65  0.88  1.0
  Br  Br0  1  0.0  0.0  0.42  1.0
  Br  Br1  1  0.65  0.65  0.64  1.0

data_TiVBr2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.65
_cell_length_b   4.65
_cell_length_c   8.1
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TiVBr2
_chemical_formula_sum   'Ti2 V2 Br4'
_cell_volume   175.46
_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
  Ti  Ti0  2  0.0  0.0  0.32  1.0
  V  V1  2  0.15  0.5  0.88  1.0
  Br  Br2  2  0.0  0.0  0.42  1.0
  Br  Br3  2  0.15  0.5  0.64  1.0

Ti V Br Br
TiBrVBr is beta oxygen-derived structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two TiBr clusters and two VBr clusters. In each TiBr cluster, Ti(1) is bonded in a single-bond geometry to one Br(1) atom. The Ti(1)-Br(1) bond length is 0.81 Å. Br(1) is bonded in a single-bond geometry to one Ti(1) atom. In each VBr cluster, V(1) is bonded in a single-bond geometry to one Br(2) atom. The V(1)-Br(2) bond length is 2.00 Å. Br(2) is bonded in a single-bond geometry to one V(1) atom.