The material structure described by V2PbP4O14 crystallizes in the triclinic P-1 space group. There are two inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form VO6 octahedra that share corners with two equivalent P(2)O4 tetrahedra and corners with four equivalent P(1)O4 tetrahedra. In the second V site, V(2) is bonded to two equivalent O(5), two equivalent O(6), and two equivalent O(7) atoms to form VO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra and corners with four equivalent P(2)O4 tetrahedra. Pb(1) is bonded in a distorted square co-planar geometry to two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(3), one O(4), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one V(2)O6 octahedra, corners with two equivalent V(1)O6 octahedra, and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 22-49°. In the second P site, P(2) is bonded to one O(1), one O(2), one O(5), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra, and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 33-56°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one V(1), one Pb(1), and one P(2) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one V(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one V(1), one Pb(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one V(2), one Pb(1), and one P(2) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one V(2) and one P(1) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one V(2) and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_V2P4PbO14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.891
_cell_length_b   7.219
_cell_length_c   8.067
_cell_angle_alpha   89.605
_cell_angle_beta   92.849
_cell_angle_gamma   106.267
_symmetry_Int_Tables_number   1
_cell_volume   273.055
_cell_formula_units_Z   1
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  0.500  0.500  0.500  1.0
  V  V1  1  0.000  0.000  0.000  1.0
  P  P2  1  0.023  0.615  0.252  1.0
  P  P3  1  0.977  0.385  0.748  1.0
  P  P4  1  0.617  0.227  0.204  1.0
  P  P5  1  0.383  0.773  0.796  1.0
  Pb  Pb6  1  0.000  0.000  0.500  1.0
  O  O7  1  0.800  0.442  0.151  1.0
  O  O8  1  0.200  0.558  0.849  1.0
  O  O9  1  0.520  0.240  0.384  1.0
  O  O10  1  0.480  0.760  0.616  1.0
  O  O11  1  0.291  0.554  0.296  1.0
  O  O12  1  0.709  0.446  0.704  1.0
  O  O13  1  0.872  0.650  0.410  1.0
  O  O14  1  0.182  0.904  0.794  1.0
  O  O15  1  0.818  0.096  0.206  1.0
  O  O16  1  0.915  0.206  0.853  1.0
  O  O17  1  0.085  0.794  0.147  1.0
  O  O18  1  0.621  0.826  0.928  1.0
  O  O19  1  0.379  0.174  0.072  1.0
  O  O20  1  0.128  0.350  0.590  1.0
[/CIF]
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The material structure described by V2PbP4O14 crystallizes in the triclinic P-1 space group. There are two inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form VO6 octahedra that share corners with two equivalent P(2)O4 tetrahedra and corners with four equivalent P(1)O4 tetrahedra. In the second V site, V(2) is bonded to two equivalent O(5), two equivalent O(6), and two equivalent O(7) atoms to form VO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra and corners with four equivalent P(2)O4 tetrahedra. Pb(1) is bonded in a distorted square co-planar geometry to two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(3), one O(4), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one V(2)O6 octahedra, corners with two equivalent V(1)O6 octahedra, and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 22-49°. In the second P site, P(2) is bonded to one O(1), one O(2), one O(5), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra, and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 33-56°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one V(1), one Pb(1), and one P(2) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one V(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one V(1), one Pb(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one V(2), one Pb(1), and one P(2) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one V(2) and one P(1) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one V(2) and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_V2P4PbO14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.891
_cell_length_b   7.219
_cell_length_c   8.067
_cell_angle_alpha   89.605
_cell_angle_beta   92.849
_cell_angle_gamma   106.267
_symmetry_Int_Tables_number   1
_cell_volume   273.055
_cell_formula_units_Z   1
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  0.500  0.500  0.500  1.0
  V  V1  1  0.000  0.000  0.000  1.0
  P  P2  1  0.023  0.615  0.252  1.0
  P  P3  1  0.977  0.385  0.748  1.0
  P  P4  1  0.617  0.227  0.204  1.0
  P  P5  1  0.383  0.773  0.796  1.0
  Pb  Pb6  1  0.000  0.000  0.500  1.0
  O  O7  1  0.800  0.442  0.151  1.0
  O  O8  1  0.200  0.558  0.849  1.0
  O  O9  1  0.520  0.240  0.384  1.0
  O  O10  1  0.480  0.760  0.616  1.0
  O  O11  1  0.291  0.554  0.296  1.0
  O  O12  1  0.709  0.446  0.704  1.0
  O  O13  1  0.872  0.650  0.410  1.0
  O  O14  1  0.182  0.904  0.794  1.0
  O  O15  1  0.818  0.096  0.206  1.0
  O  O16  1  0.915  0.206  0.853  1.0
  O  O17  1  0.085  0.794  0.147  1.0
  O  O18  1  0.621  0.826  0.928  1.0
  O  O19  1  0.379  0.174  0.072  1.0
  O  O20  1  0.128  0.350  0.590  1.0
[/CIF]
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