data_Al2VMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.89
_cell_length_b   4.89
_cell_length_c   2.71
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   113.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2VMo
_chemical_formula_sum   'Al2 V1 Mo1'
_cell_volume   59.42
_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
  Al  Al0  1  0.34  0.04  0.35  1.0
  Al  Al1  1  0.34  0.96  0.35  1.0
  V  V3  1  0.0  0.0  0.0  1.0
  Mo  Mo2  1  0.69  0.0  0.0  1.0

data_Al2VMo
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.71
_cell_length_b   4.89
_cell_length_c   4.89
_cell_angle_alpha   113.25
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2VMo
_chemical_formula_sum   'Al2 V1 Mo1'
_cell_volume   59.42
_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
  Al  Al0  1  0.35  0.34  0.04  1.0
  Al  Al1  1  0.35  0.34  0.96  1.0
  V  V2  1  0.0  0.0  0.0  1.0
  Mo  Mo3  1  -0.0  0.69  0.0  1.0

Al Al V Mo
Al Al V Mo 0 1 o - o 2 3 - o o 
VMoAl2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one VMoAl2 cluster. V(1) is bonded in a distorted single-bond geometry to one Mo(1) atom. The V(1)-Mo(1) bond length is 1.52 Å. Mo(1) is bonded in a 2-coordinate geometry to one V(1) and one Al(2) atom. The Mo(1)-Al(2) bond length is 1.88 Å. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a single-bond geometry to one Al(2) atom. The Al(1)-Al(2) bond length is 0.40 Å. In the second Al site, Al(2) is bonded in a distorted single-bond geometry to one Mo(1) and one Al(1) atom.