data_Ti2VW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.55
_cell_length_b   9.55
_cell_length_c   9.55
_cell_angle_alpha   16.91
_cell_angle_beta   16.91
_cell_angle_gamma   16.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2VW
_chemical_formula_sum   'Ti2 V1 W1'
_cell_volume   64.28
_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  Ti0  1  0.0  0.0  0.21  1.0
  Ti  Ti1  1  0.0  0.0  1.0  1.0
  V  V2  1  0.0  0.0  0.14  1.0
  W  W3  1  0.0  0.0  0.24  1.0

data_Ti2VW
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.86
_cell_length_b   2.81
_cell_length_c   9.55
_cell_angle_alpha   90.0
_cell_angle_beta   99.77
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ti2VW
_chemical_formula_sum   'Ti4 V2 W2'
_cell_volume   128.55
_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  0.0  1.0
  Ti  Ti1  2  0.0  0.0  0.79  1.0
  V  V2  2  0.0  0.0  0.86  1.0
  W  W3  2  0.0  0.0  0.76  1.0

Ti Ti V W
Ti Ti V W 0 3 o o o 0 2 o o o 1 2 o o + 
Ti2VW is Cyanogen Chloride-like structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two Ti2VW clusters. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a distorted linear geometry to one V(1) and one W(1) atom. The Ti(1)-V(1) bond length is 0.60 Å. The Ti(1)-W(1) bond length is 0.34 Å. In the second Ti site, Ti(2) is bonded in a single-bond geometry to one V(1) atom. The Ti(2)-V(1) bond length is 1.42 Å. V(1) is bonded in a distorted linear geometry to one Ti(1) and one Ti(2) atom. W(1) is bonded in a single-bond geometry to one Ti(1) atom.