The crystal structure described by Pb2V3O9 crystallizes in the monoclinic Cc space group. There are three inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(2), one O(7), one O(9), and two equivalent O(3) atoms to form distorted VO6 octahedra that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(2)O4 tetrahedra, and corners with two equivalent V(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 35°. In the second V site, V(2) is bonded to one O(4), one O(7), one O(8), and one O(9) atom to form corner-sharing VO4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-56°. In the third V site, V(3) is bonded to one O(1), one O(2), one O(5), and one O(6) atom to form corner-sharing VO4 tetrahedra. The corner-sharing octahedral tilt angles range from 34-43°. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 8-coordinate geometry to one O(3), one O(4), one O(7), one O(8), two equivalent O(5), and two equivalent O(6) atoms. In the second Pb site, Pb(2) is bonded in a 6-coordinate geometry to one O(4), one O(5), one O(6), one O(7), one O(8), and one O(9) atom. There are nine inequivalent O sites. In the first O site, O(7) is bonded in a 2-coordinate geometry to one V(1), one V(2), one Pb(1), and one Pb(2) atom. In the second O site, O(8) is bonded in a single-bond geometry to one V(2), one Pb(1), and one Pb(2) atom. In the third O site, O(9) is bonded in a distorted bent 120 degrees geometry to one V(1), one V(2), and one Pb(2) atom. In the fourth O site, O(1) is bonded in a bent 150 degrees geometry to one V(1) and one V(3) atom. In the fifth O site, O(2) is bonded in a distorted bent 150 degrees geometry to one V(1) and one V(3) atom. In the sixth O site, O(3) is bonded in a distorted bent 150 degrees geometry to two equivalent V(1) and one Pb(1) atom. In the seventh O site, O(4) is bonded in a single-bond geometry to one V(2), one Pb(1), and one Pb(2) atom. In the eighth O site, O(5) is bonded in a distorted single-bond geometry to one V(3), one Pb(2), and two equivalent Pb(1) atoms. In the ninth O site, O(6) is bonded in a distorted single-bond geometry to one V(3), one Pb(2), and two equivalent Pb(1) atoms. is represented by the CIF card [CIF]
data_V3Pb2O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.166
_cell_length_b   9.166
_cell_length_c   7.147
_cell_angle_alpha   77.959
_cell_angle_beta   77.959
_cell_angle_gamma   130.350
_symmetry_Int_Tables_number   1
_cell_volume   397.113
_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  0.538  0.026  0.221  1.0
  V  V1  1  0.026  0.538  0.721  1.0
  V  V2  1  0.583  0.423  0.004  1.0
  V  V3  1  0.423  0.583  0.504  1.0
  V  V4  1  0.842  0.162  0.503  1.0
  V  V5  1  0.162  0.842  0.003  1.0
  Pb  Pb6  1  0.952  0.045  0.000  1.0
  Pb  Pb7  1  0.045  0.952  0.500  1.0
  Pb  Pb8  1  0.381  0.622  0.004  1.0
  Pb  Pb9  1  0.622  0.381  0.504  1.0
  O  O10  1  0.388  0.934  0.038  1.0
  O  O11  1  0.934  0.388  0.538  1.0
  O  O12  1  0.614  0.052  0.466  1.0
  O  O13  1  0.052  0.614  0.966  1.0
  O  O14  1  0.789  0.217  0.002  1.0
  O  O15  1  0.217  0.789  0.502  1.0
  O  O16  1  0.642  0.675  0.540  1.0
  O  O17  1  0.675  0.642  0.040  1.0
  O  O18  1  0.025  0.222  0.278  1.0
  O  O19  1  0.222  0.025  0.778  1.0
  O  O20  1  0.791  0.984  0.725  1.0
  O  O21  1  0.984  0.791  0.225  1.0
  O  O22  1  0.511  0.785  0.261  1.0
  O  O23  1  0.785  0.511  0.761  1.0
  O  O24  1  0.313  0.356  0.478  1.0
  O  O25  1  0.356  0.313  0.978  1.0
  O  O26  1  0.511  0.225  0.235  1.0
  O  O27  1  0.225  0.511  0.735  1.0
[/CIF]
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The crystal structure described by Pb2V3O9 crystallizes in the monoclinic Cc space group. There are three inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(2), one O(7), one O(9), and two equivalent O(3) atoms to form distorted VO6 octahedra that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(2)O4 tetrahedra, and corners with two equivalent V(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 35°. In the second V site, V(2) is bonded to one O(4), one O(7), one O(8), and one O(9) atom to form corner-sharing VO4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-56°. In the third V site, V(3) is bonded to one O(1), one O(2), one O(5), and one O(6) atom to form corner-sharing VO4 tetrahedra. The corner-sharing octahedral tilt angles range from 34-43°. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 8-coordinate geometry to one O(3), one O(4), one O(7), one O(8), two equivalent O(5), and two equivalent O(6) atoms. In the second Pb site, Pb(2) is bonded in a 6-coordinate geometry to one O(4), one O(5), one O(6), one O(7), one O(8), and one O(9) atom. There are nine inequivalent O sites. In the first O site, O(7) is bonded in a 2-coordinate geometry to one V(1), one V(2), one Pb(1), and one Pb(2) atom. In the second O site, O(8) is bonded in a single-bond geometry to one V(2), one Pb(1), and one Pb(2) atom. In the third O site, O(9) is bonded in a distorted bent 120 degrees geometry to one V(1), one V(2), and one Pb(2) atom. In the fourth O site, O(1) is bonded in a bent 150 degrees geometry to one V(1) and one V(3) atom. In the fifth O site, O(2) is bonded in a distorted bent 150 degrees geometry to one V(1) and one V(3) atom. In the sixth O site, O(3) is bonded in a distorted bent 150 degrees geometry to two equivalent V(1) and one Pb(1) atom. In the seventh O site, O(4) is bonded in a single-bond geometry to one V(2), one Pb(1), and one Pb(2) atom. In the eighth O site, O(5) is bonded in a distorted single-bond geometry to one V(3), one Pb(2), and two equivalent Pb(1) atoms. In the ninth O site, O(6) is bonded in a distorted single-bond geometry to one V(3), one Pb(2), and two equivalent Pb(1) atoms. is represented by the CIF card [CIF]
data_V3Pb2O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.166
_cell_length_b   9.166
_cell_length_c   7.147
_cell_angle_alpha   77.959
_cell_angle_beta   77.959
_cell_angle_gamma   130.350
_symmetry_Int_Tables_number   1
_cell_volume   397.113
_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  0.538  0.026  0.221  1.0
  V  V1  1  0.026  0.538  0.721  1.0
  V  V2  1  0.583  0.423  0.004  1.0
  V  V3  1  0.423  0.583  0.504  1.0
  V  V4  1  0.842  0.162  0.503  1.0
  V  V5  1  0.162  0.842  0.003  1.0
  Pb  Pb6  1  0.952  0.045  0.000  1.0
  Pb  Pb7  1  0.045  0.952  0.500  1.0
  Pb  Pb8  1  0.381  0.622  0.004  1.0
  Pb  Pb9  1  0.622  0.381  0.504  1.0
  O  O10  1  0.388  0.934  0.038  1.0
  O  O11  1  0.934  0.388  0.538  1.0
  O  O12  1  0.614  0.052  0.466  1.0
  O  O13  1  0.052  0.614  0.966  1.0
  O  O14  1  0.789  0.217  0.002  1.0
  O  O15  1  0.217  0.789  0.502  1.0
  O  O16  1  0.642  0.675  0.540  1.0
  O  O17  1  0.675  0.642  0.040  1.0
  O  O18  1  0.025  0.222  0.278  1.0
  O  O19  1  0.222  0.025  0.778  1.0
  O  O20  1  0.791  0.984  0.725  1.0
  O  O21  1  0.984  0.791  0.225  1.0
  O  O22  1  0.511  0.785  0.261  1.0
  O  O23  1  0.785  0.511  0.761  1.0
  O  O24  1  0.313  0.356  0.478  1.0
  O  O25  1  0.356  0.313  0.978  1.0
  O  O26  1  0.511  0.225  0.235  1.0
  O  O27  1  0.225  0.511  0.735  1.0
[/CIF]
.