data_TaV2Cd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.92
_cell_length_b   4.92
_cell_length_c   5.15
_cell_angle_alpha   94.64
_cell_angle_beta   94.64
_cell_angle_gamma   32.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaV2Cd
_chemical_formula_sum   'Ta1 V2 Cd1'
_cell_volume   66.18
_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
  Ta  Ta1  1  0.01  0.0  0.2  1.0
  V  V2  1  0.57  0.0  0.11  1.0
  V  V3  1  0.99  0.0  0.92  1.0
  Cd  Cd0  1  0.52  0.0  0.61  1.0

data_TaV2Cd
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.73
_cell_length_b   4.92
_cell_length_c   5.15
_cell_angle_alpha   94.64
_cell_angle_beta   90.0
_cell_angle_gamma   106.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaV2Cd
_chemical_formula_sum   'Ta1 V2 Cd1'
_cell_volume   66.18
_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
  Ta  Ta0  1  0.0  0.99  0.8  1.0
  V  V1  1  0.0  0.01  0.08  1.0
  V  V2  1  0.0  0.43  0.89  1.0
  Cd  Cd3  1  0.0  0.48  0.39  1.0

Ta V V Cd
TaV2Cd crystallizes in the triclinic P1 space group. Ta(1) is bonded in a distorted single-bond geometry to one V(1), one V(2), and one Cd(1) atom. The Ta(1)-V(1) bond length is 2.16 Å. The Ta(1)-V(2) bond length is 1.41 Å. The Ta(1)-Cd(1) bond length is 3.14 Å. There are two inequivalent V sites. In the first V site, V(1) is bonded in a 3-coordinate geometry to one Ta(1) and two equivalent Cd(1) atoms. There is one shorter (2.58 Å) and one longer (2.60 Å) V(1)-Cd(1) bond length. In the second V site, V(2) is bonded in a single-bond geometry to one Ta(1) and two equivalent Cd(1) atoms. There is one shorter (2.74 Å) and one longer (3.14 Å) V(2)-Cd(1) bond length. Cd(1) is bonded in a 7-coordinate geometry to one Ta(1), two equivalent V(1), two equivalent V(2), and two equivalent Cd(1) atoms. Both Cd(1)-Cd(1) bond lengths are 2.73 Å.