The material structure described by PbV6O11 crystallizes in the triclinic P1 space group. There are twelve inequivalent V sites. In the first V site, V(1) is bonded to one O(2), one O(3), one O(5), one O(8), and one O(9) atom to form corner-sharing VO5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 40-58°. In the second V site, V(2) is bonded to one O(1), one O(10), one O(4), one O(6), and one O(7) atom to form corner-sharing VO5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 38-57°. In the third V site, V(3) is bonded to one O(11), one O(12), one O(13), one O(5), one O(8), and one O(9) atom to form VO6 octahedra that share corners with two equivalent V(10)O6 octahedra, corners with two equivalent V(11)O6 octahedra, corners with two equivalent V(7)O6 octahedra, corners with three equivalent V(1)O5 trigonal bipyramids, and  a faceface with one V(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-54°. In the fourth V site, V(4) is bonded to one O(10), one O(14), one O(20), one O(21), one O(6), and one O(7) atom to form distorted VO6 octahedra that share corners with two equivalent V(12)O6 octahedra, corners with two equivalent V(8)O6 octahedra, corners with two equivalent V(9)O6 octahedra, corners with three equivalent V(2)O5 trigonal bipyramids, and  a faceface with one V(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-56°. In the fifth V site, V(5) is bonded to one O(10), one O(16), one O(17), one O(19), one O(6), and one O(7) atom to form distorted VO6 octahedra that share corners with two equivalent V(10)O6 octahedra, corners with two equivalent V(11)O6 octahedra, corners with two equivalent V(7)O6 octahedra, corners with three equivalent V(2)O5 trigonal bipyramids, and  a faceface with one V(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-57°. In the sixth V site, V(6) is bonded to one O(15), one O(18), one O(22), one O(5), one O(8), and one O(9) atom to form VO6 octahedra that share corners with two equivalent V(12)O6 octahedra, corners with two equivalent V(8)O6 octahedra, corners with two equivalent V(9)O6 octahedra, corners with three equivalent V(1)O5 trigonal bipyramids, and  a faceface with one V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-57°. In the seventh V site, V(7) is bonded to one O(11), one O(13), one O(16), one O(17), one O(2), and one O(4) atom to form VO6 octahedra that share corners with two equivalent V(3)O6 octahedra, corners with two equivalent V(5)O6 octahedra,  a cornercorner with one V(1)O5 trigonal bipyramid,  a cornercorner with one V(2)O5 trigonal bipyramid, edges with two equivalent V(10)O6 octahedra, and edges with two equivalent V(11)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-56°. In the eighth V site, V(8) is bonded to one O(1), one O(14), one O(18), one O(21), one O(22), and one O(3) atom to form VO6 octahedra that share corners with two equivalent V(4)O6 octahedra, corners with two equivalent V(6)O6 octahedra,  a cornercorner with one V(1)O5 trigonal bipyramid,  a cornercorner with one V(2)O5 trigonal bipyramid, edges with two equivalent V(12)O6 octahedra, and edges with two equivalent V(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-54°. In the ninth V site, V(9) is bonded to one O(1), one O(15), one O(20), one O(21), one O(22), and one O(3) atom to form VO6 octahedra that share corners with two equivalent V(4)O6 octahedra, corners with two equivalent V(6)O6 octahedra,  a cornercorner with one V(1)O5 trigonal bipyramid,  a cornercorner with one V(2)O5 trigonal bipyramid, edges with two equivalent V(12)O6 octahedra, and edges with two equivalent V(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-56°. In the tenth V site, V(10) is bonded to one O(11), one O(12), one O(16), one O(19), one O(2), and one O(4) atom to form VO6 octahedra that share corners with two equivalent V(3)O6 octahedra, corners with two equivalent V(5)O6 octahedra,  a cornercorner with one V(1)O5 trigonal bipyramid,  a cornercorner with one V(2)O5 trigonal bipyramid, edges with two equivalent V(11)O6 octahedra, and edges with two equivalent V(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-57°. In the eleventh V site, V(11) is bonded to one O(12), one O(13), one O(17), one O(19), one O(2), and one O(4) atom to form VO6 octahedra that share corners with two equivalent V(3)O6 octahedra, corners with two equivalent V(5)O6 octahedra,  a cornercorner with one V(1)O5 trigonal bipyramid,  a cornercorner with one V(2)O5 trigonal bipyramid, edges with two equivalent V(10)O6 octahedra, and edges with two equivalent V(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-53°. In the twelfth V site, V(12) is bonded to one O(1), one O(14), one O(15), one O(18), one O(20), and one O(3) atom to form VO6 octahedra that share corners with two equivalent V(4)O6 octahedra, corners with two equivalent V(6)O6 octahedra,  a cornercorner with one V(1)O5 trigonal bipyramid,  a cornercorner with one V(2)O5 trigonal bipyramid, edges with two equivalent V(8)O6 octahedra, and edges with two equivalent V(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-57°. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 3-coordinate geometry to one O(14), one O(20), and one O(21) atom. In the second Pb site, Pb(2) is bonded in a 3-coordinate geometry to one O(15), one O(18), and one O(22) atom. There are twenty-two inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one V(12), one V(2), one V(8), and one V(9) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one V(1), one V(10), one V(11), and one V(7) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one V(1), one V(12), one V(8), and one V(9) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one V(10), one V(11), one V(2), and one V(7) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one V(1), one V(3), and one V(6) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one V(2), one V(4), and one V(5) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one V(2), one V(4), and one V(5) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one V(1), one V(3), and one V(6) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one V(1), one V(3), and one V(6) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one V(2), one V(4), and one V(5) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one V(10), one V(3), and one V(7) atom. In the twelfth O site, O(12) is bonded in a trigonal planar geometry to one V(10), one V(11), and one V(3) atom. In the thirteenth O site, O(13) is bonded in a distorted trigonal planar geometry to one V(11), one V(3), and one V(7) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one V(12), one V(4), one V(8), and one Pb(1) atom. In the fifteenth O site, O(15) is bonded in a 4-coordinate geometry to one V(12), one V(6), one V(9), and one Pb(2) atom. In the sixteenth O site, O(16) is bonded in a distorted trigonal planar geometry to one V(10), one V(5), and one V(7) atom. In the seventeenth O site, O(17) is bonded in a distorted trigonal planar geometry to one V(11), one V(5), and one V(7) atom. In the eighteenth O site, O(18) is bonded in a 4-coordinate geometry to one V(12), one V(6), one V(8), and one Pb(2) atom. In the nineteenth O site, O(19) is bonded in a distorted trigonal planar geometry to one V(10), one V(11), and one V(5) atom. In the twentieth O site, O(20) is bonded in a 3-coordinate geometry to one V(12), one V(4), one V(9), and one Pb(1) atom. In the twenty-first O site, O(21) is bonded in a 3-coordinate geometry to one V(4), one V(8), one V(9), and one Pb(1) atom. In the twenty-second O site, O(22) is bonded in a 3-coordinate geometry to one V(6), one V(8), one V(9), and one Pb(2) atom. is represented by the CIF card [CIF]
data_V6PbO11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.931
_cell_length_b   5.940
_cell_length_c   13.321
_cell_angle_alpha   90.054
_cell_angle_beta   89.910
_cell_angle_gamma   119.616
_symmetry_Int_Tables_number   1
_cell_volume   407.979
_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  0.668  0.333  0.253  1.0
  V  V1  1  0.335  0.666  0.750  1.0
  V  V2  1  0.005  0.996  0.355  1.0
  V  V3  1  0.997  0.994  0.855  1.0
  V  V4  1  0.000  0.003  0.643  1.0
  V  V5  1  0.006  0.005  0.147  1.0
  V  V6  1  0.503  0.001  0.502  1.0
  V  V7  1  0.501  0.002  0.000  1.0
  V  V8  1  0.998  0.500  0.998  1.0
  V  V9  1  0.998  0.496  0.502  1.0
  V  V10  1  0.502  0.499  0.500  1.0
  V  V11  1  0.497  0.497  0.998  1.0
  Pb  Pb12  1  0.670  0.333  0.757  1.0
  Pb  Pb13  1  0.348  0.667  0.232  1.0
  O  O14  1  0.338  0.677  0.910  1.0
  O  O15  1  0.661  0.338  0.416  1.0
  O  O16  1  0.659  0.320  0.084  1.0
  O  O17  1  0.339  0.661  0.589  1.0
  O  O18  1  0.847  0.705  0.249  1.0
  O  O19  1  0.160  0.847  0.747  1.0
  O  O20  1  0.706  0.856  0.750  1.0
  O  O21  1  0.299  0.149  0.253  1.0
  O  O22  1  0.854  0.142  0.255  1.0
  O  O23  1  0.162  0.318  0.752  1.0
  O  O24  1  0.159  0.838  0.423  1.0
  O  O25  1  0.175  0.341  0.422  1.0
  O  O26  1  0.657  0.824  0.421  1.0
  O  O27  1  0.345  0.161  0.917  1.0
  O  O28  1  0.175  0.352  0.082  1.0
  O  O29  1  0.823  0.175  0.583  1.0
  O  O30  1  0.348  0.181  0.581  1.0
  O  O31  1  0.643  0.833  0.080  1.0
  O  O32  1  0.814  0.647  0.580  1.0
  O  O33  1  0.818  0.644  0.916  1.0
  O  O34  1  0.817  0.167  0.919  1.0
  O  O35  1  0.176  0.830  0.079  1.0
[/CIF]
.
The material structure described by PbV6O11 crystallizes in the triclinic P1 space group. There are twelve inequivalent V sites. In the first V site, V(1) is bonded to one O(2), one O(3), one O(5), one O(8), and one O(9) atom to form corner-sharing VO5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 40-58°. In the second V site, V(2) is bonded to one O(1), one O(10), one O(4), one O(6), and one O(7) atom to form corner-sharing VO5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 38-57°. In the third V site, V(3) is bonded to one O(11), one O(12), one O(13), one O(5), one O(8), and one O(9) atom to form VO6 octahedra that share corners with two equivalent V(10)O6 octahedra, corners with two equivalent V(11)O6 octahedra, corners with two equivalent V(7)O6 octahedra, corners with three equivalent V(1)O5 trigonal bipyramids, and  a faceface with one V(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-54°. In the fourth V site, V(4) is bonded to one O(10), one O(14), one O(20), one O(21), one O(6), and one O(7) atom to form distorted VO6 octahedra that share corners with two equivalent V(12)O6 octahedra, corners with two equivalent V(8)O6 octahedra, corners with two equivalent V(9)O6 octahedra, corners with three equivalent V(2)O5 trigonal bipyramids, and  a faceface with one V(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-56°. In the fifth V site, V(5) is bonded to one O(10), one O(16), one O(17), one O(19), one O(6), and one O(7) atom to form distorted VO6 octahedra that share corners with two equivalent V(10)O6 octahedra, corners with two equivalent V(11)O6 octahedra, corners with two equivalent V(7)O6 octahedra, corners with three equivalent V(2)O5 trigonal bipyramids, and  a faceface with one V(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-57°. In the sixth V site, V(6) is bonded to one O(15), one O(18), one O(22), one O(5), one O(8), and one O(9) atom to form VO6 octahedra that share corners with two equivalent V(12)O6 octahedra, corners with two equivalent V(8)O6 octahedra, corners with two equivalent V(9)O6 octahedra, corners with three equivalent V(1)O5 trigonal bipyramids, and  a faceface with one V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-57°. In the seventh V site, V(7) is bonded to one O(11), one O(13), one O(16), one O(17), one O(2), and one O(4) atom to form VO6 octahedra that share corners with two equivalent V(3)O6 octahedra, corners with two equivalent V(5)O6 octahedra,  a cornercorner with one V(1)O5 trigonal bipyramid,  a cornercorner with one V(2)O5 trigonal bipyramid, edges with two equivalent V(10)O6 octahedra, and edges with two equivalent V(11)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-56°. In the eighth V site, V(8) is bonded to one O(1), one O(14), one O(18), one O(21), one O(22), and one O(3) atom to form VO6 octahedra that share corners with two equivalent V(4)O6 octahedra, corners with two equivalent V(6)O6 octahedra,  a cornercorner with one V(1)O5 trigonal bipyramid,  a cornercorner with one V(2)O5 trigonal bipyramid, edges with two equivalent V(12)O6 octahedra, and edges with two equivalent V(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-54°. In the ninth V site, V(9) is bonded to one O(1), one O(15), one O(20), one O(21), one O(22), and one O(3) atom to form VO6 octahedra that share corners with two equivalent V(4)O6 octahedra, corners with two equivalent V(6)O6 octahedra,  a cornercorner with one V(1)O5 trigonal bipyramid,  a cornercorner with one V(2)O5 trigonal bipyramid, edges with two equivalent V(12)O6 octahedra, and edges with two equivalent V(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-56°. In the tenth V site, V(10) is bonded to one O(11), one O(12), one O(16), one O(19), one O(2), and one O(4) atom to form VO6 octahedra that share corners with two equivalent V(3)O6 octahedra, corners with two equivalent V(5)O6 octahedra,  a cornercorner with one V(1)O5 trigonal bipyramid,  a cornercorner with one V(2)O5 trigonal bipyramid, edges with two equivalent V(11)O6 octahedra, and edges with two equivalent V(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-57°. In the eleventh V site, V(11) is bonded to one O(12), one O(13), one O(17), one O(19), one O(2), and one O(4) atom to form VO6 octahedra that share corners with two equivalent V(3)O6 octahedra, corners with two equivalent V(5)O6 octahedra,  a cornercorner with one V(1)O5 trigonal bipyramid,  a cornercorner with one V(2)O5 trigonal bipyramid, edges with two equivalent V(10)O6 octahedra, and edges with two equivalent V(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-53°. In the twelfth V site, V(12) is bonded to one O(1), one O(14), one O(15), one O(18), one O(20), and one O(3) atom to form VO6 octahedra that share corners with two equivalent V(4)O6 octahedra, corners with two equivalent V(6)O6 octahedra,  a cornercorner with one V(1)O5 trigonal bipyramid,  a cornercorner with one V(2)O5 trigonal bipyramid, edges with two equivalent V(8)O6 octahedra, and edges with two equivalent V(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-57°. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 3-coordinate geometry to one O(14), one O(20), and one O(21) atom. In the second Pb site, Pb(2) is bonded in a 3-coordinate geometry to one O(15), one O(18), and one O(22) atom. There are twenty-two inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one V(12), one V(2), one V(8), and one V(9) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one V(1), one V(10), one V(11), and one V(7) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one V(1), one V(12), one V(8), and one V(9) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one V(10), one V(11), one V(2), and one V(7) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one V(1), one V(3), and one V(6) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one V(2), one V(4), and one V(5) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one V(2), one V(4), and one V(5) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one V(1), one V(3), and one V(6) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one V(1), one V(3), and one V(6) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one V(2), one V(4), and one V(5) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one V(10), one V(3), and one V(7) atom. In the twelfth O site, O(12) is bonded in a trigonal planar geometry to one V(10), one V(11), and one V(3) atom. In the thirteenth O site, O(13) is bonded in a distorted trigonal planar geometry to one V(11), one V(3), and one V(7) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one V(12), one V(4), one V(8), and one Pb(1) atom. In the fifteenth O site, O(15) is bonded in a 4-coordinate geometry to one V(12), one V(6), one V(9), and one Pb(2) atom. In the sixteenth O site, O(16) is bonded in a distorted trigonal planar geometry to one V(10), one V(5), and one V(7) atom. In the seventeenth O site, O(17) is bonded in a distorted trigonal planar geometry to one V(11), one V(5), and one V(7) atom. In the eighteenth O site, O(18) is bonded in a 4-coordinate geometry to one V(12), one V(6), one V(8), and one Pb(2) atom. In the nineteenth O site, O(19) is bonded in a distorted trigonal planar geometry to one V(10), one V(11), and one V(5) atom. In the twentieth O site, O(20) is bonded in a 3-coordinate geometry to one V(12), one V(4), one V(9), and one Pb(1) atom. In the twenty-first O site, O(21) is bonded in a 3-coordinate geometry to one V(4), one V(8), one V(9), and one Pb(1) atom. In the twenty-second O site, O(22) is bonded in a 3-coordinate geometry to one V(6), one V(8), one V(9), and one Pb(2) atom. is represented by the CIF card [CIF]
data_V6PbO11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.931
_cell_length_b   5.940
_cell_length_c   13.321
_cell_angle_alpha   90.054
_cell_angle_beta   89.910
_cell_angle_gamma   119.616
_symmetry_Int_Tables_number   1
_cell_volume   407.979
_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  0.668  0.333  0.253  1.0
  V  V1  1  0.335  0.666  0.750  1.0
  V  V2  1  0.005  0.996  0.355  1.0
  V  V3  1  0.997  0.994  0.855  1.0
  V  V4  1  0.000  0.003  0.643  1.0
  V  V5  1  0.006  0.005  0.147  1.0
  V  V6  1  0.503  0.001  0.502  1.0
  V  V7  1  0.501  0.002  0.000  1.0
  V  V8  1  0.998  0.500  0.998  1.0
  V  V9  1  0.998  0.496  0.502  1.0
  V  V10  1  0.502  0.499  0.500  1.0
  V  V11  1  0.497  0.497  0.998  1.0
  Pb  Pb12  1  0.670  0.333  0.757  1.0
  Pb  Pb13  1  0.348  0.667  0.232  1.0
  O  O14  1  0.338  0.677  0.910  1.0
  O  O15  1  0.661  0.338  0.416  1.0
  O  O16  1  0.659  0.320  0.084  1.0
  O  O17  1  0.339  0.661  0.589  1.0
  O  O18  1  0.847  0.705  0.249  1.0
  O  O19  1  0.160  0.847  0.747  1.0
  O  O20  1  0.706  0.856  0.750  1.0
  O  O21  1  0.299  0.149  0.253  1.0
  O  O22  1  0.854  0.142  0.255  1.0
  O  O23  1  0.162  0.318  0.752  1.0
  O  O24  1  0.159  0.838  0.423  1.0
  O  O25  1  0.175  0.341  0.422  1.0
  O  O26  1  0.657  0.824  0.421  1.0
  O  O27  1  0.345  0.161  0.917  1.0
  O  O28  1  0.175  0.352  0.082  1.0
  O  O29  1  0.823  0.175  0.583  1.0
  O  O30  1  0.348  0.181  0.581  1.0
  O  O31  1  0.643  0.833  0.080  1.0
  O  O32  1  0.814  0.647  0.580  1.0
  O  O33  1  0.818  0.644  0.916  1.0
  O  O34  1  0.817  0.167  0.919  1.0
  O  O35  1  0.176  0.830  0.079  1.0
[/CIF]
.