data_V2PbO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.93
_cell_length_b   7.93
_cell_length_c   9.35
_cell_angle_alpha   110.37
_cell_angle_beta   110.37
_cell_angle_gamma   26.9
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2PbO6
_chemical_formula_sum   'V4 Pb2 O12'
_cell_volume   248.47
_cell_formula_units_Z   2
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
  V  V14  1  0.15  0.0  0.03  1.0
  V  V15  1  0.08  0.0  0.15  1.0
  V  V16  1  1.0  0.0  0.58  1.0
  V  V17  1  0.92  0.0  0.71  1.0
  Pb  Pb12  1  0.54  0.0  0.44  1.0
  Pb  Pb13  1  0.54  0.0  0.29  1.0
  O  O0  1  0.58  0.0  0.08  1.0
  O  O1  1  0.46  0.0  0.88  1.0
  O  O2  1  0.69  0.0  0.57  1.0
  O  O3  1  0.65  0.0  0.71  1.0
  O  O4  1  0.78  0.0  0.14  1.0
  O  O5  1  0.88  0.0  0.41  1.0
  O  O6  1  0.2  0.0  0.32  1.0
  O  O7  1  0.29  0.0  0.6  1.0
  O  O8  1  0.43  0.0  0.03  1.0
  O  O9  1  0.39  0.0  0.16  1.0
  O  O10  1  0.62  0.0  0.85  1.0
  O  O11  1  0.5  0.0  0.65  1.0

data_V2PbO6
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.69
_cell_length_b   7.93
_cell_length_c   9.35
_cell_angle_alpha   110.37
_cell_angle_beta   90.0
_cell_angle_gamma   103.45
_symmetry_Int_Tables_number   2
_chemical_formula_structural   V2PbO6
_chemical_formula_sum   'V4 Pb2 O12'
_cell_volume   248.47
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  V  V0  2  0.0  0.39  0.84  1.0
  V  V1  2  0.0  0.46  0.71  1.0
  Pb  Pb2  2  0.0  0.0  0.42  1.0
  O  O3  2  0.0  0.04  0.21  1.0
  O  O4  2  0.0  0.08  0.99  1.0
  O  O5  2  0.0  0.11  0.84  1.0
  O  O6  2  0.0  0.15  0.71  1.0
  O  O7  2  0.0  0.25  0.27  1.0
  O  O8  2  0.0  0.34  0.54  1.0

V V V V Pb Pb O O O O O O O O O O O O
PbV2O6 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of one PbV2O6 cluster. There are two inequivalent V sites. In the first V site, V(1) is bonded in a 1-coordinate geometry to one O(3) and one O(4) atom. The V(1)-O(3) bond length is 1.85 Å. The V(1)-O(4) bond length is 2.19 Å. In the second V site, V(2) is bonded in a 1-coordinate geometry to one O(5) and one O(6) atom. The V(2)-O(5) bond length is 2.29 Å. The V(2)-O(6) bond length is 1.55 Å. Pb(1) is bonded in a distorted single-bond geometry to one O(1) and one O(3) atom. The Pb(1)-O(1) bond length is 2.07 Å. The Pb(1)-O(3) bond length is 1.38 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Pb(1), one O(2), one O(4), and one O(5) atom. The O(1)-O(2) bond length is 1.80 Å. The O(1)-O(4) bond length is 1.14 Å. The O(1)-O(5) bond length is 1.50 Å. In the second O site, O(2) is bonded in a 3-coordinate geometry to one O(1), one O(2), and one O(4) atom. The O(2)-O(2) bond length is 1.36 Å. The O(2)-O(4) bond length is 1.48 Å. In the third O site, O(3) is bonded in a 2-coordinate geometry to one V(1), one Pb(1), and one O(4) atom. The O(3)-O(4) bond length is 1.39 Å. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one V(1), one O(1), one O(2), and one O(3) atom. In the fifth O site, O(5) is bonded in a distorted linear geometry to one V(2) and one O(1) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one V(2) atom.