The compound described by V5FePbO11 crystallizes in the orthorhombic Cmc2_1 space group. There are four inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(6), two equivalent O(3), and two equivalent O(5) atoms to form VO6 octahedra that share corners with two equivalent V(3)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent V(4)O5 trigonal bipyramids, and edges with four equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-58°. In the second V site, V(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form VO6 octahedra that share corners with two equivalent V(3)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent V(4)O5 trigonal bipyramids, edges with two equivalent V(1)O6 octahedra, and edges with two equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-59°. In the third V site, V(3) is bonded to one O(4), one O(7), two equivalent O(5), and two equivalent O(8) atoms to form VO6 octahedra that share corners with two equivalent V(1)O6 octahedra, corners with four equivalent V(2)O6 octahedra, corners with three equivalent V(4)O5 trigonal bipyramids, and  a faceface with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-52°. In the fourth V site, V(4) is bonded to one O(1), one O(6), one O(7), and two equivalent O(8) atoms to form VO5 trigonal bipyramids that share corners with two equivalent V(1)O6 octahedra, corners with three equivalent V(3)O6 octahedra, corners with three equivalent Fe(1)O6 octahedra, and corners with four equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-58°. Fe(1) is bonded to one O(2), one O(7), two equivalent O(3), and two equivalent O(8) atoms to form distorted FeO6 octahedra that share corners with two equivalent V(1)O6 octahedra, corners with four equivalent V(2)O6 octahedra, corners with three equivalent V(4)O5 trigonal bipyramids, and  a faceface with one V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-59°. Pb(1) is bonded in a 3-coordinate geometry to one O(2) and two equivalent O(3) atoms. There are eight inequivalent O sites. In the first O site, O(4) is bonded in a distorted trigonal planar geometry to one V(3) and two equivalent V(2) atoms. In the second O site, O(5) is bonded in a trigonal planar geometry to one V(1), one V(2), and one V(3) atom. In the third O site, O(6) is bonded in a rectangular see-saw-like geometry to one V(1), one V(4), and two equivalent V(2) atoms. In the fourth O site, O(7) is bonded in a 3-coordinate geometry to one V(3), one V(4), and one Fe(1) atom. In the fifth O site, O(8) is bonded in a 3-coordinate geometry to one V(3), one V(4), and one Fe(1) atom. In the sixth O site, O(1) is bonded in a rectangular see-saw-like geometry to one V(1), one V(4), and two equivalent V(2) atoms. In the seventh O site, O(2) is bonded to two equivalent V(2), one Fe(1), and one Pb(1) atom to form a mixture of distorted corner and edge-sharing OV2FePb tetrahedra. In the eighth O site, O(3) is bonded to one V(1), one V(2), one Fe(1), and one Pb(1) atom to form a mixture of distorted corner and edge-sharing OV2FePb tetrahedra. is represented by the CIF file [CIF]
data_V5FePbO11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.999
_cell_length_b   5.999
_cell_length_c   13.325
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   121.230
_symmetry_Int_Tables_number   1
_cell_volume   410.094
_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  0.499  0.501  0.499  1.0
  V  V1  1  0.510  0.012  0.499  1.0
  V  V2  1  0.988  0.490  0.499  1.0
  V  V3  1  0.501  0.499  0.999  1.0
  V  V4  1  0.490  0.988  0.999  1.0
  V  V5  1  0.012  0.510  0.999  1.0
  V  V6  1  1.000  0.000  0.851  1.0
  V  V7  1  0.000  1.000  0.351  1.0
  V  V8  1  0.668  0.332  0.760  1.0
  V  V9  1  0.332  0.668  0.260  1.0
  Fe  Fe10  1  0.005  0.995  0.642  1.0
  Fe  Fe11  1  0.995  0.005  0.142  1.0
  Pb  Pb12  1  0.338  0.662  0.723  1.0
  Pb  Pb13  1  0.662  0.338  0.223  1.0
  O  O14  1  0.659  0.341  0.587  1.0
  O  O15  1  0.341  0.659  0.087  1.0
  O  O16  1  0.188  0.812  0.577  1.0
  O  O17  1  0.182  0.361  0.579  1.0
  O  O18  1  0.639  0.818  0.579  1.0
  O  O19  1  0.812  0.188  0.077  1.0
  O  O20  1  0.818  0.639  0.079  1.0
  O  O21  1  0.361  0.182  0.079  1.0
  O  O22  1  0.170  0.830  0.922  1.0
  O  O23  1  0.178  0.343  0.926  1.0
  O  O24  1  0.657  0.822  0.926  1.0
  O  O25  1  0.830  0.170  0.422  1.0
  O  O26  1  0.822  0.657  0.426  1.0
  O  O27  1  0.343  0.178  0.426  1.0
  O  O28  1  0.664  0.336  0.914  1.0
  O  O29  1  0.336  0.664  0.414  1.0
  O  O30  1  0.163  0.837  0.255  1.0
  O  O31  1  0.162  0.309  0.254  1.0
  O  O32  1  0.691  0.838  0.254  1.0
  O  O33  1  0.837  0.163  0.755  1.0
  O  O34  1  0.838  0.691  0.754  1.0
  O  O35  1  0.309  0.162  0.754  1.0
[/CIF]
.
The compound described by V5FePbO11 crystallizes in the orthorhombic Cmc2_1 space group. There are four inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(6), two equivalent O(3), and two equivalent O(5) atoms to form VO6 octahedra that share corners with two equivalent V(3)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent V(4)O5 trigonal bipyramids, and edges with four equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-58°. In the second V site, V(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form VO6 octahedra that share corners with two equivalent V(3)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent V(4)O5 trigonal bipyramids, edges with two equivalent V(1)O6 octahedra, and edges with two equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-59°. In the third V site, V(3) is bonded to one O(4), one O(7), two equivalent O(5), and two equivalent O(8) atoms to form VO6 octahedra that share corners with two equivalent V(1)O6 octahedra, corners with four equivalent V(2)O6 octahedra, corners with three equivalent V(4)O5 trigonal bipyramids, and  a faceface with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-52°. In the fourth V site, V(4) is bonded to one O(1), one O(6), one O(7), and two equivalent O(8) atoms to form VO5 trigonal bipyramids that share corners with two equivalent V(1)O6 octahedra, corners with three equivalent V(3)O6 octahedra, corners with three equivalent Fe(1)O6 octahedra, and corners with four equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-58°. Fe(1) is bonded to one O(2), one O(7), two equivalent O(3), and two equivalent O(8) atoms to form distorted FeO6 octahedra that share corners with two equivalent V(1)O6 octahedra, corners with four equivalent V(2)O6 octahedra, corners with three equivalent V(4)O5 trigonal bipyramids, and  a faceface with one V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-59°. Pb(1) is bonded in a 3-coordinate geometry to one O(2) and two equivalent O(3) atoms. There are eight inequivalent O sites. In the first O site, O(4) is bonded in a distorted trigonal planar geometry to one V(3) and two equivalent V(2) atoms. In the second O site, O(5) is bonded in a trigonal planar geometry to one V(1), one V(2), and one V(3) atom. In the third O site, O(6) is bonded in a rectangular see-saw-like geometry to one V(1), one V(4), and two equivalent V(2) atoms. In the fourth O site, O(7) is bonded in a 3-coordinate geometry to one V(3), one V(4), and one Fe(1) atom. In the fifth O site, O(8) is bonded in a 3-coordinate geometry to one V(3), one V(4), and one Fe(1) atom. In the sixth O site, O(1) is bonded in a rectangular see-saw-like geometry to one V(1), one V(4), and two equivalent V(2) atoms. In the seventh O site, O(2) is bonded to two equivalent V(2), one Fe(1), and one Pb(1) atom to form a mixture of distorted corner and edge-sharing OV2FePb tetrahedra. In the eighth O site, O(3) is bonded to one V(1), one V(2), one Fe(1), and one Pb(1) atom to form a mixture of distorted corner and edge-sharing OV2FePb tetrahedra. is represented by the CIF file [CIF]
data_V5FePbO11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.999
_cell_length_b   5.999
_cell_length_c   13.325
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   121.230
_symmetry_Int_Tables_number   1
_cell_volume   410.094
_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  0.499  0.501  0.499  1.0
  V  V1  1  0.510  0.012  0.499  1.0
  V  V2  1  0.988  0.490  0.499  1.0
  V  V3  1  0.501  0.499  0.999  1.0
  V  V4  1  0.490  0.988  0.999  1.0
  V  V5  1  0.012  0.510  0.999  1.0
  V  V6  1  1.000  0.000  0.851  1.0
  V  V7  1  0.000  1.000  0.351  1.0
  V  V8  1  0.668  0.332  0.760  1.0
  V  V9  1  0.332  0.668  0.260  1.0
  Fe  Fe10  1  0.005  0.995  0.642  1.0
  Fe  Fe11  1  0.995  0.005  0.142  1.0
  Pb  Pb12  1  0.338  0.662  0.723  1.0
  Pb  Pb13  1  0.662  0.338  0.223  1.0
  O  O14  1  0.659  0.341  0.587  1.0
  O  O15  1  0.341  0.659  0.087  1.0
  O  O16  1  0.188  0.812  0.577  1.0
  O  O17  1  0.182  0.361  0.579  1.0
  O  O18  1  0.639  0.818  0.579  1.0
  O  O19  1  0.812  0.188  0.077  1.0
  O  O20  1  0.818  0.639  0.079  1.0
  O  O21  1  0.361  0.182  0.079  1.0
  O  O22  1  0.170  0.830  0.922  1.0
  O  O23  1  0.178  0.343  0.926  1.0
  O  O24  1  0.657  0.822  0.926  1.0
  O  O25  1  0.830  0.170  0.422  1.0
  O  O26  1  0.822  0.657  0.426  1.0
  O  O27  1  0.343  0.178  0.426  1.0
  O  O28  1  0.664  0.336  0.914  1.0
  O  O29  1  0.336  0.664  0.414  1.0
  O  O30  1  0.163  0.837  0.255  1.0
  O  O31  1  0.162  0.309  0.254  1.0
  O  O32  1  0.691  0.838  0.254  1.0
  O  O33  1  0.837  0.163  0.755  1.0
  O  O34  1  0.838  0.691  0.754  1.0
  O  O35  1  0.309  0.162  0.754  1.0
[/CIF]
.