The material structure described by PbV2O6 crystallizes in the monoclinic C2/m 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(1), one O(3), one O(5), and two equivalent O(2) atoms. In the second V site, V(2) is bonded in a 5-coordinate geometry to one O(2), one O(4), one O(6), and two equivalent O(1) atoms. Pb(1) is bonded in a 7-coordinate geometry to one O(4), two equivalent O(3), two equivalent O(5), and two equivalent O(6) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one V(1) and two equivalent V(2) atoms. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar 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 two equivalent Pb(1) atoms. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one V(2) and one Pb(1) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one V(1) and two equivalent Pb(1) atoms. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one V(2) and two equivalent Pb(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_V2PbO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.662
_cell_length_b   8.164
_cell_length_c   9.459
_cell_angle_alpha   108.794
_cell_angle_beta   90.005
_cell_angle_gamma   102.965
_symmetry_Int_Tables_number   1
_cell_volume   260.105
_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  V0  1  0.599  0.198  0.842  1.0
  V  V1  1  0.401  0.802  0.158  1.0
  V  V2  1  0.834  0.669  0.363  1.0
  V  V3  1  0.166  0.331  0.637  1.0
  Pb  Pb4  1  0.875  0.749  0.776  1.0
  Pb  Pb5  1  0.125  0.251  0.224  1.0
  O  O6  1  0.665  0.330  0.697  1.0
  O  O7  1  0.335  0.670  0.303  1.0
  O  O8  1  0.893  0.785  0.208  1.0
  O  O9  1  0.107  0.215  0.792  1.0
  O  O10  1  0.654  0.309  0.023  1.0
  O  O11  1  0.346  0.691  0.977  1.0
  O  O12  1  0.100  0.201  0.461  1.0
  O  O13  1  0.900  0.799  0.539  1.0
  O  O14  1  0.489  0.978  0.819  1.0
  O  O15  1  0.727  0.454  0.358  1.0
  O  O16  1  0.273  0.546  0.642  1.0
  O  O17  1  0.511  0.022  0.181  1.0
[/CIF]
.
The material structure described by PbV2O6 crystallizes in the monoclinic C2/m 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(1), one O(3), one O(5), and two equivalent O(2) atoms. In the second V site, V(2) is bonded in a 5-coordinate geometry to one O(2), one O(4), one O(6), and two equivalent O(1) atoms. Pb(1) is bonded in a 7-coordinate geometry to one O(4), two equivalent O(3), two equivalent O(5), and two equivalent O(6) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one V(1) and two equivalent V(2) atoms. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar 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 two equivalent Pb(1) atoms. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one V(2) and one Pb(1) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one V(1) and two equivalent Pb(1) atoms. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one V(2) and two equivalent Pb(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_V2PbO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.662
_cell_length_b   8.164
_cell_length_c   9.459
_cell_angle_alpha   108.794
_cell_angle_beta   90.005
_cell_angle_gamma   102.965
_symmetry_Int_Tables_number   1
_cell_volume   260.105
_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  V0  1  0.599  0.198  0.842  1.0
  V  V1  1  0.401  0.802  0.158  1.0
  V  V2  1  0.834  0.669  0.363  1.0
  V  V3  1  0.166  0.331  0.637  1.0
  Pb  Pb4  1  0.875  0.749  0.776  1.0
  Pb  Pb5  1  0.125  0.251  0.224  1.0
  O  O6  1  0.665  0.330  0.697  1.0
  O  O7  1  0.335  0.670  0.303  1.0
  O  O8  1  0.893  0.785  0.208  1.0
  O  O9  1  0.107  0.215  0.792  1.0
  O  O10  1  0.654  0.309  0.023  1.0
  O  O11  1  0.346  0.691  0.977  1.0
  O  O12  1  0.100  0.201  0.461  1.0
  O  O13  1  0.900  0.799  0.539  1.0
  O  O14  1  0.489  0.978  0.819  1.0
  O  O15  1  0.727  0.454  0.358  1.0
  O  O16  1  0.273  0.546  0.642  1.0
  O  O17  1  0.511  0.022  0.181  1.0
[/CIF]
.