data_HfVMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.85
_cell_length_b   2.85
_cell_length_c   8.72
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   111.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfVMo2
_chemical_formula_sum   'Hf1 V1 Mo2'
_cell_volume   65.76
_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
  Hf  Hf0  1  0.0  0.0  0.36  1.0
  V  V3  1  0.0  0.0  0.0  1.0
  Mo  Mo1  1  0.6  0.0  0.72  1.0
  Mo  Mo2  1  0.6  0.0  0.99  1.0

data_HfVMo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.85
_cell_length_b   2.85
_cell_length_c   8.72
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   111.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfVMo2
_chemical_formula_sum   'Hf1 V1 Mo2'
_cell_volume   65.76
_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
  Hf  Hf0  1  0.0  0.0  0.36  1.0
  V  V1  1  0.0  0.0  0.0  1.0
  Mo  Mo2  1  0.6  0.0  0.72  1.0
  Mo  Mo3  1  0.6  0.0  0.99  1.0

Hf V Mo Mo
HfVMo2 crystallizes in the triclinic P1 space group. Hf(1) is bonded in a 11-coordinate geometry to six equivalent Hf(1), one V(1), two equivalent Mo(1), and two equivalent Mo(2) atoms. There are four shorter (2.85 Å) and two longer (3.21 Å) Hf(1)-Hf(1) bond lengths. The Hf(1)-V(1) bond length is 3.12 Å. There is one shorter (3.38 Å) and one longer (3.61 Å) Hf(1)-Mo(1) bond length. There is one shorter (3.38 Å) and one longer (3.61 Å) Hf(1)-Mo(2) bond length. V(1) is bonded in a distorted linear geometry to one Hf(1), two equivalent Mo(1), and two equivalent Mo(2) atoms. There is one shorter (2.67 Å) and one longer (2.97 Å) V(1)-Mo(1) bond length. There is one shorter (1.13 Å) and one longer (1.72 Å) V(1)-Mo(2) bond length. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 11-coordinate geometry to two equivalent Hf(1), two equivalent V(1), one Mo(2), and six equivalent Mo(1) atoms. The Mo(1)-Mo(2) bond length is 2.36 Å. There are four shorter (2.85 Å) and two longer (3.21 Å) Mo(1)-Mo(1) bond lengths. In the second Mo site, Mo(2) is bonded in a distorted linear geometry to two equivalent Hf(1), two equivalent V(1), and one Mo(1) atom.