The material described by PbV2O6 crystallizes in the orthorhombic C222 space group. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(2), one O(3), one O(4), and one O(5) atom to form VO4 tetrahedra that share  a cornercorner with one V(1)O4 tetrahedra,  a cornercorner with one V(2)O4 tetrahedra, and  a cornercorner with one Pb(1)O4 trigonal pyramid. In the second V site, V(2) is bonded to two equivalent O(1) and two equivalent O(3) atoms to form VO4 tetrahedra that share corners with two equivalent V(1)O4 tetrahedra and corners with two equivalent Pb(1)O4 trigonal pyramids. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form distorted PbO4 trigonal pyramids that share corners with two equivalent V(1)O4 tetrahedra and corners with two equivalent V(2)O4 tetrahedra. In the second Pb site, Pb(2) is bonded in a 4-coordinate geometry to four equivalent O(5) atoms. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one V(2) and one Pb(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one V(1) and one Pb(1) atom. In the third O site, O(3) is bonded in a water-like geometry to one V(1) and one V(2) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to two equivalent V(1) atoms. In the fifth O site, O(5) is bonded in a distorted water-like geometry to one V(1) and one Pb(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_V2PbO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.258
_cell_length_b   8.258
_cell_length_c   9.082
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   118.117
_symmetry_Int_Tables_number   1
_cell_volume   546.191
_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
  V  V0  1  0.263  0.335  0.250  1.0
  V  V1  1  0.737  0.665  0.250  1.0
  V  V2  1  0.335  0.263  0.750  1.0
  V  V3  1  0.665  0.737  0.750  1.0
  V  V4  1  0.000  0.500  0.223  1.0
  V  V5  1  0.500  0.000  0.777  1.0
  Pb  Pb6  1  0.864  0.136  0.500  1.0
  Pb  Pb7  1  0.136  0.864  0.500  1.0
  Pb  Pb8  1  0.000  0.000  0.000  1.0
  O  O9  1  0.166  0.665  0.327  1.0
  O  O10  1  0.834  0.335  0.327  1.0
  O  O11  1  0.665  0.166  0.673  1.0
  O  O12  1  0.335  0.834  0.673  1.0
  O  O13  1  0.189  0.343  0.420  1.0
  O  O14  1  0.811  0.657  0.420  1.0
  O  O15  1  0.343  0.189  0.580  1.0
  O  O16  1  0.657  0.811  0.580  1.0
  O  O17  1  0.890  0.620  0.126  1.0
  O  O18  1  0.500  0.500  0.781  1.0
  O  O19  1  0.500  0.500  0.219  1.0
  O  O20  1  0.217  0.115  0.216  1.0
  O  O21  1  0.783  0.885  0.216  1.0
  O  O22  1  0.115  0.217  0.784  1.0
  O  O23  1  0.885  0.783  0.784  1.0
  O  O24  1  0.380  0.110  0.874  1.0
  O  O25  1  0.620  0.890  0.874  1.0
  O  O26  1  0.110  0.380  0.126  1.0
[/CIF]
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The material described by PbV2O6 crystallizes in the orthorhombic C222 space group. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(2), one O(3), one O(4), and one O(5) atom to form VO4 tetrahedra that share  a cornercorner with one V(1)O4 tetrahedra,  a cornercorner with one V(2)O4 tetrahedra, and  a cornercorner with one Pb(1)O4 trigonal pyramid. In the second V site, V(2) is bonded to two equivalent O(1) and two equivalent O(3) atoms to form VO4 tetrahedra that share corners with two equivalent V(1)O4 tetrahedra and corners with two equivalent Pb(1)O4 trigonal pyramids. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form distorted PbO4 trigonal pyramids that share corners with two equivalent V(1)O4 tetrahedra and corners with two equivalent V(2)O4 tetrahedra. In the second Pb site, Pb(2) is bonded in a 4-coordinate geometry to four equivalent O(5) atoms. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one V(2) and one Pb(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one V(1) and one Pb(1) atom. In the third O site, O(3) is bonded in a water-like geometry to one V(1) and one V(2) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to two equivalent V(1) atoms. In the fifth O site, O(5) is bonded in a distorted water-like geometry to one V(1) and one Pb(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_V2PbO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.258
_cell_length_b   8.258
_cell_length_c   9.082
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   118.117
_symmetry_Int_Tables_number   1
_cell_volume   546.191
_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
  V  V0  1  0.263  0.335  0.250  1.0
  V  V1  1  0.737  0.665  0.250  1.0
  V  V2  1  0.335  0.263  0.750  1.0
  V  V3  1  0.665  0.737  0.750  1.0
  V  V4  1  0.000  0.500  0.223  1.0
  V  V5  1  0.500  0.000  0.777  1.0
  Pb  Pb6  1  0.864  0.136  0.500  1.0
  Pb  Pb7  1  0.136  0.864  0.500  1.0
  Pb  Pb8  1  0.000  0.000  0.000  1.0
  O  O9  1  0.166  0.665  0.327  1.0
  O  O10  1  0.834  0.335  0.327  1.0
  O  O11  1  0.665  0.166  0.673  1.0
  O  O12  1  0.335  0.834  0.673  1.0
  O  O13  1  0.189  0.343  0.420  1.0
  O  O14  1  0.811  0.657  0.420  1.0
  O  O15  1  0.343  0.189  0.580  1.0
  O  O16  1  0.657  0.811  0.580  1.0
  O  O17  1  0.890  0.620  0.126  1.0
  O  O18  1  0.500  0.500  0.781  1.0
  O  O19  1  0.500  0.500  0.219  1.0
  O  O20  1  0.217  0.115  0.216  1.0
  O  O21  1  0.783  0.885  0.216  1.0
  O  O22  1  0.115  0.217  0.784  1.0
  O  O23  1  0.885  0.783  0.784  1.0
  O  O24  1  0.380  0.110  0.874  1.0
  O  O25  1  0.620  0.890  0.874  1.0
  O  O26  1  0.110  0.380  0.126  1.0
[/CIF]
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