data_NbVMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.76
_cell_length_b   2.76
_cell_length_c   8.79
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbVMo2
_chemical_formula_sum   'Nb1 V1 Mo2'
_cell_volume   62.85
_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
  Nb  Nb2  1  0.0  0.0  0.4  1.0
  V  V3  1  0.0  0.0  0.0  1.0
  Mo  Mo0  1  0.58  0.0  0.08  1.0
  Mo  Mo1  1  0.58  0.0  0.71  1.0

data_NbVMo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.76
_cell_length_b   2.76
_cell_length_c   8.79
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbVMo2
_chemical_formula_sum   'Nb1 V1 Mo2'
_cell_volume   62.85
_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
  Nb  Nb0  1  0.0  0.0  0.4  1.0
  V  V1  1  0.0  0.0  0.0  1.0
  Mo  Mo2  1  0.58  0.0  0.08  1.0
  Mo  Mo3  1  0.58  0.0  0.71  1.0

Nb V Mo Mo
NbVMo2 crystallizes in the triclinic P1 space group. Nb(1) is bonded in a 8-coordinate geometry to four equivalent Nb(1), two equivalent Mo(1), and two equivalent Mo(2) atoms. All Nb(1)-Nb(1) bond lengths are 2.76 Å. There is one shorter (3.02 Å) and one longer (3.22 Å) Nb(1)-Mo(1) bond length. There is one shorter (3.02 Å) and one longer (3.22 Å) Nb(1)-Mo(2) bond length. V(1) is bonded in a distorted bent 120 degrees geometry to two equivalent Mo(1) and two equivalent Mo(2) atoms. There is one shorter (1.34 Å) and one longer (1.74 Å) V(1)-Mo(1) bond length. There is one shorter (2.78 Å) and one longer (2.99 Å) V(1)-Mo(2) bond length. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a distorted bent 120 degrees geometry to two equivalent Nb(1) and two equivalent V(1) atoms. In the second Mo site, Mo(2) is bonded in a 8-coordinate geometry to two equivalent Nb(1), two equivalent V(1), and four equivalent Mo(2) atoms. All Mo(2)-Mo(2) bond lengths are 2.76 Å.