data_Ta2V
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.38
_cell_length_b   7.38
_cell_length_c   3.29
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2V
_chemical_formula_sum   'Ta6 V3'
_cell_volume   155.2
_cell_formula_units_Z   3
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  0.01  0.71  0.65  1.0
  Ta  Ta1  1  0.76  0.88  0.0  1.0
  Ta  Ta2  1  0.97  0.0  0.65  1.0
  Ta  Ta3  1  0.7  0.68  0.65  1.0
  Ta  Ta4  1  0.48  0.0  0.0  1.0
  Ta  Ta5  1  0.45  0.51  0.0  1.0
  V  V6  1  0.0  0.0  0.0  1.0
  V  V7  1  0.0  0.26  0.65  1.0
  V  V8  1  0.69  0.13  0.65  1.0

data_Ta2V
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.29
_cell_length_b   7.38
_cell_length_c   7.38
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2V
_chemical_formula_sum   'Ta6 V3'
_cell_volume   155.2
_cell_formula_units_Z   3
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  0.48  0.0  1.0
  Ta  Ta1  1  0.0  0.45  0.51  1.0
  Ta  Ta2  1  0.0  0.76  0.88  1.0
  Ta  Ta3  1  0.65  0.01  0.71  1.0
  Ta  Ta4  1  0.65  0.7  0.68  1.0
  Ta  Ta5  1  0.65  0.97  0.0  1.0
  V  V6  1  0.0  0.0  0.0  1.0
  V  V7  1  0.65  0.0  0.26  1.0
  V  V8  1  0.65  0.69  0.13  1.0

Ta Ta Ta Ta Ta Ta V V V
Ta2V crystallizes in the triclinic P1 space group. There are six inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a 4-coordinate geometry to one Ta(3), one Ta(4), one V(1), and one V(2) atom. The Ta(1)-Ta(3) bond length is 2.30 Å. The Ta(1)-Ta(4) bond length is 2.19 Å. The Ta(1)-V(1) bond length is 2.48 Å. The Ta(1)-V(2) bond length is 3.27 Å. In the second Ta site, Ta(2) is bonded in a 1-coordinate geometry to one Ta(6), two equivalent Ta(4), and one V(1) atom. The Ta(2)-Ta(6) bond length is 2.56 Å. There is one shorter (1.77 Å) and one longer (2.51 Å) Ta(2)-Ta(4) bond length. The Ta(2)-V(1) bond length is 1.54 Å. In the third Ta site, Ta(3) is bonded in a 1-coordinate geometry to one Ta(1), one Ta(4), one V(1), and one V(2) atom. The Ta(3)-Ta(4) bond length is 2.21 Å. The Ta(3)-V(1) bond length is 1.18 Å. The Ta(3)-V(2) bond length is 1.82 Å. In the fourth Ta site, Ta(4) is bonded in a 6-coordinate geometry to one Ta(1), one Ta(3), two equivalent Ta(2), and two equivalent Ta(6) atoms. There is one shorter (2.02 Å) and one longer (2.70 Å) Ta(4)-Ta(6) bond length. In the fifth Ta site, Ta(5) is bonded in a 1-coordinate geometry to two equivalent Ta(6) and one V(3) atom. There is one shorter (3.51 Å) and one longer (3.88 Å) Ta(5)-Ta(6) bond length. The Ta(5)-V(3) bond length is 1.77 Å. In the sixth Ta site, Ta(6) is bonded in a 10-coordinate geometry to one Ta(2), two equivalent Ta(4), two equivalent Ta(5), two equivalent Ta(6), one V(1), and two equivalent V(2) atoms. Both Ta(6)-Ta(6) bond lengths are 3.29 Å. The Ta(6)-V(1) bond length is 3.55 Å. There is one shorter (3.09 Å) and one longer (3.57 Å) Ta(6)-V(2) bond length. There are three inequivalent V sites. In the first V site, V(1) is bonded in a 2-coordinate geometry to one Ta(1), one Ta(2), one Ta(3), and one Ta(6) atom. In the second V site, V(2) is bonded in a 1-coordinate geometry to one Ta(1), one Ta(3), and two equivalent Ta(6) atoms. In the third V site, V(3) is bonded in a 1-coordinate geometry to one Ta(5) atom.