data_Sc2NbV
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.97
_cell_length_b   4.97
_cell_length_c   5.62
_cell_angle_alpha   93.89
_cell_angle_beta   93.89
_cell_angle_gamma   33.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2NbV
_chemical_formula_sum   'Sc2 Nb1 V1'
_cell_volume   77.25
_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
  Sc  Sc1  1  0.08  0.0  0.47  1.0
  Sc  Sc2  1  0.11  0.0  0.51  1.0
  Nb  Nb0  1  0.06  0.0  0.1  1.0
  V  V3  1  0.55  0.0  0.93  1.0

data_Sc2NbV
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.9
_cell_length_b   4.97
_cell_length_c   5.62
_cell_angle_alpha   93.89
_cell_angle_beta   90.0
_cell_angle_gamma   106.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2NbV
_chemical_formula_sum   'Sc2 Nb1 V1'
_cell_volume   77.25
_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
  Sc  Sc0  1  0.0  0.89  0.49  1.0
  Sc  Sc1  1  0.0  0.92  0.53  1.0
  Nb  Nb2  1  0.0  0.94  0.9  1.0
  V  V3  1  0.0  0.45  0.07  1.0

Sc Sc Nb V
Sc2NbV crystallizes in the triclinic P1 space group. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a distorted bent 150 degrees geometry to one Sc(2) and one Nb(1) atom. The Sc(1)-Sc(2) bond length is 0.26 Å. The Sc(1)-Nb(1) bond length is 2.07 Å. In the second Sc site, Sc(2) is bonded in a single-bond geometry to one Sc(1) and one V(1) atom. The Sc(2)-V(1) bond length is 3.11 Å. Nb(1) is bonded in a distorted single-bond geometry to one Sc(1) and two equivalent V(1) atoms. There is one shorter (2.64 Å) and one longer (2.70 Å) Nb(1)-V(1) bond length. V(1) is bonded in a 5-coordinate geometry to one Sc(2), two equivalent Nb(1), and two equivalent V(1) atoms. Both V(1)-V(1) bond lengths are 2.90 Å.