The material structure described by PbV2O6 crystallizes in the orthorhombic Pnma space group. There are two inequivalent V sites. In the first V site, V(1) is bonded in a 5-coordinate geometry to one O(3), one O(4), one O(6), and two equivalent O(2) atoms. In the second V site, V(2) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(5), and two equivalent O(4) atoms. Pb(1) is bonded in a 8-coordinate geometry to one O(6), two equivalent O(1), two equivalent O(5), and three equivalent O(3) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one V(2) and two equivalent Pb(1) atoms. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one V(2) and two equivalent V(1) atoms. In the third O site, O(3) is bonded in a single-bond geometry to one V(1) and three equivalent Pb(1) atoms. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one V(1) and two equivalent V(2) atoms. In the fifth O site, O(5) is bonded in a single-bond geometry to one V(2) and two equivalent Pb(1) atoms. In the sixth O site, O(6) is bonded in a single-bond geometry to one V(1) and one Pb(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_V2PbO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.678
_cell_length_b   9.963
_cell_length_c   13.089
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   479.726
_cell_formula_units_Z   4
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  V0  1  0.250  0.741  0.909  1.0
  V  V1  1  0.250  0.504  0.127  1.0
  V  V2  1  0.750  0.496  0.873  1.0
  V  V3  1  0.750  0.259  0.091  1.0
  V  V4  1  0.750  0.759  0.409  1.0
  V  V5  1  0.250  0.004  0.373  1.0
  V  V6  1  0.250  0.241  0.591  1.0
  V  V7  1  0.750  0.996  0.627  1.0
  Pb  Pb8  1  0.750  0.370  0.381  1.0
  Pb  Pb9  1  0.250  0.130  0.881  1.0
  Pb  Pb10  1  0.750  0.870  0.119  1.0
  Pb  Pb11  1  0.250  0.630  0.619  1.0
  O  O12  1  0.750  0.523  0.746  1.0
  O  O13  1  0.750  0.691  0.931  1.0
  O  O14  1  0.750  0.107  0.024  1.0
  O  O15  1  0.750  0.967  0.410  1.0
  O  O16  1  0.750  0.191  0.569  1.0
  O  O17  1  0.750  0.327  0.895  1.0
  O  O18  1  0.250  0.809  0.431  1.0
  O  O19  1  0.250  0.477  0.254  1.0
  O  O20  1  0.750  0.222  0.213  1.0
  O  O21  1  0.750  0.607  0.476  1.0
  O  O22  1  0.250  0.893  0.976  1.0
  O  O23  1  0.750  0.722  0.287  1.0
  O  O24  1  0.250  0.977  0.246  1.0
  O  O25  1  0.250  0.309  0.069  1.0
  O  O26  1  0.250  0.393  0.524  1.0
  O  O27  1  0.250  0.278  0.713  1.0
  O  O28  1  0.250  0.173  0.395  1.0
  O  O29  1  0.750  0.023  0.754  1.0
  O  O30  1  0.250  0.778  0.787  1.0
  O  O31  1  0.750  0.827  0.605  1.0
  O  O32  1  0.250  0.033  0.590  1.0
  O  O33  1  0.750  0.467  0.090  1.0
  O  O34  1  0.250  0.673  0.105  1.0
  O  O35  1  0.250  0.533  0.910  1.0
[/CIF]
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The material structure described by PbV2O6 crystallizes in the orthorhombic Pnma space group. There are two inequivalent V sites. In the first V site, V(1) is bonded in a 5-coordinate geometry to one O(3), one O(4), one O(6), and two equivalent O(2) atoms. In the second V site, V(2) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(5), and two equivalent O(4) atoms. Pb(1) is bonded in a 8-coordinate geometry to one O(6), two equivalent O(1), two equivalent O(5), and three equivalent O(3) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one V(2) and two equivalent Pb(1) atoms. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one V(2) and two equivalent V(1) atoms. In the third O site, O(3) is bonded in a single-bond geometry to one V(1) and three equivalent Pb(1) atoms. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one V(1) and two equivalent V(2) atoms. In the fifth O site, O(5) is bonded in a single-bond geometry to one V(2) and two equivalent Pb(1) atoms. In the sixth O site, O(6) is bonded in a single-bond geometry to one V(1) and one Pb(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_V2PbO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.678
_cell_length_b   9.963
_cell_length_c   13.089
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   479.726
_cell_formula_units_Z   4
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  V0  1  0.250  0.741  0.909  1.0
  V  V1  1  0.250  0.504  0.127  1.0
  V  V2  1  0.750  0.496  0.873  1.0
  V  V3  1  0.750  0.259  0.091  1.0
  V  V4  1  0.750  0.759  0.409  1.0
  V  V5  1  0.250  0.004  0.373  1.0
  V  V6  1  0.250  0.241  0.591  1.0
  V  V7  1  0.750  0.996  0.627  1.0
  Pb  Pb8  1  0.750  0.370  0.381  1.0
  Pb  Pb9  1  0.250  0.130  0.881  1.0
  Pb  Pb10  1  0.750  0.870  0.119  1.0
  Pb  Pb11  1  0.250  0.630  0.619  1.0
  O  O12  1  0.750  0.523  0.746  1.0
  O  O13  1  0.750  0.691  0.931  1.0
  O  O14  1  0.750  0.107  0.024  1.0
  O  O15  1  0.750  0.967  0.410  1.0
  O  O16  1  0.750  0.191  0.569  1.0
  O  O17  1  0.750  0.327  0.895  1.0
  O  O18  1  0.250  0.809  0.431  1.0
  O  O19  1  0.250  0.477  0.254  1.0
  O  O20  1  0.750  0.222  0.213  1.0
  O  O21  1  0.750  0.607  0.476  1.0
  O  O22  1  0.250  0.893  0.976  1.0
  O  O23  1  0.750  0.722  0.287  1.0
  O  O24  1  0.250  0.977  0.246  1.0
  O  O25  1  0.250  0.309  0.069  1.0
  O  O26  1  0.250  0.393  0.524  1.0
  O  O27  1  0.250  0.278  0.713  1.0
  O  O28  1  0.250  0.173  0.395  1.0
  O  O29  1  0.750  0.023  0.754  1.0
  O  O30  1  0.250  0.778  0.787  1.0
  O  O31  1  0.750  0.827  0.605  1.0
  O  O32  1  0.250  0.033  0.590  1.0
  O  O33  1  0.750  0.467  0.090  1.0
  O  O34  1  0.250  0.673  0.105  1.0
  O  O35  1  0.250  0.533  0.910  1.0
[/CIF]
.