data_Ti2SiMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.28
_cell_length_b   3.28
_cell_length_c   5.68
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2SiMo
_chemical_formula_sum   'Ti2 Si1 Mo1'
_cell_volume   61.14
_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  0.64  0.64  0.4  1.0
  Ti  Ti3  1  0.64  0.64  0.28  1.0
  Si  Si1  1  0.0  0.0  0.0  1.0
  Mo  Mo0  1  0.0  0.0  0.84  1.0

data_Ti2SiMo
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.64
_cell_length_b   4.64
_cell_length_c   5.68
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ti2SiMo
_chemical_formula_sum   'Ti4 Si2 Mo2'
_cell_volume   122.28
_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  0.14  0.5  0.28  1.0
  Ti  Ti1  2  0.14  0.5  0.4  1.0
  Si  Si2  2  0.0  0.0  0.0  1.0
  Mo  Mo3  2  0.0  0.0  0.84  1.0

Ti Ti Si Mo
Ti2MoSi crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two Ti2MoSi clusters. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a distorted single-bond geometry to one Ti(2) atom. The Ti(1)-Ti(2) bond length is 0.65 Å. In the second Ti site, Ti(2) is bonded in a 2-coordinate geometry to one Ti(1) and one Si(1) atom. The Ti(2)-Si(1) bond length is 2.32 Å. Mo(1) is bonded in a single-bond geometry to one Si(1) atom. The Mo(1)-Si(1) bond length is 0.90 Å. Si(1) is bonded in a distorted single-bond geometry to one Ti(2) and one Mo(1) atom.