The material described by PbBiVO5 crystallizes in the triclinic P-1 space group. V(1) is bonded in a tetrahedral geometry to one O(2), one O(3), one O(4), and one O(5) atom. Pb(1) is bonded in a 6-coordinate geometry to one O(2), one O(3), one O(4), one O(5), and two equivalent O(1) atoms. Bi(1) is bonded in a 5-coordinate geometry to one O(2), one O(3), one O(4), and two equivalent O(1) atoms. There are five inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Pb(1) and two equivalent Bi(1) atoms to form edge-sharing OBi2Pb2 tetrahedra. In the second O site, O(2) is bonded in a 1-coordinate geometry to one V(1), one Pb(1), and one Bi(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one V(1), one Pb(1), and one Bi(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one V(1), one Pb(1), and one Bi(1) atom. In the fifth O site, O(5) is bonded in a single-bond geometry to one V(1) and one Pb(1) atom. is represented by the CIF card [CIF]
data_VBiPbO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.708
_cell_length_b   7.214
_cell_length_c   7.173
_cell_angle_alpha   106.857
_cell_angle_beta   97.235
_cell_angle_gamma   112.148
_symmetry_Int_Tables_number   1
_cell_volume   252.408
_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  0.345  0.652  0.348  1.0
  V  V1  1  0.655  0.348  0.652  1.0
  Bi  Bi2  1  0.919  0.970  0.745  1.0
  Bi  Bi3  1  0.081  0.030  0.255  1.0
  Pb  Pb4  1  0.682  0.314  0.115  1.0
  Pb  Pb5  1  0.318  0.686  0.885  1.0
  O  O6  1  0.241  0.019  0.999  1.0
  O  O7  1  0.863  0.284  0.793  1.0
  O  O8  1  0.836  0.617  0.692  1.0
  O  O9  1  0.548  0.191  0.396  1.0
  O  O10  1  0.759  0.981  0.001  1.0
  O  O11  1  0.452  0.809  0.604  1.0
  O  O12  1  0.607  0.686  0.253  1.0
  O  O13  1  0.393  0.314  0.747  1.0
  O  O14  1  0.137  0.716  0.207  1.0
  O  O15  1  0.164  0.383  0.308  1.0
[/CIF]
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The material described by PbBiVO5 crystallizes in the triclinic P-1 space group. V(1) is bonded in a tetrahedral geometry to one O(2), one O(3), one O(4), and one O(5) atom. Pb(1) is bonded in a 6-coordinate geometry to one O(2), one O(3), one O(4), one O(5), and two equivalent O(1) atoms. Bi(1) is bonded in a 5-coordinate geometry to one O(2), one O(3), one O(4), and two equivalent O(1) atoms. There are five inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Pb(1) and two equivalent Bi(1) atoms to form edge-sharing OBi2Pb2 tetrahedra. In the second O site, O(2) is bonded in a 1-coordinate geometry to one V(1), one Pb(1), and one Bi(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one V(1), one Pb(1), and one Bi(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one V(1), one Pb(1), and one Bi(1) atom. In the fifth O site, O(5) is bonded in a single-bond geometry to one V(1) and one Pb(1) atom. is represented by the CIF card [CIF]
data_VBiPbO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.708
_cell_length_b   7.214
_cell_length_c   7.173
_cell_angle_alpha   106.857
_cell_angle_beta   97.235
_cell_angle_gamma   112.148
_symmetry_Int_Tables_number   1
_cell_volume   252.408
_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  0.345  0.652  0.348  1.0
  V  V1  1  0.655  0.348  0.652  1.0
  Bi  Bi2  1  0.919  0.970  0.745  1.0
  Bi  Bi3  1  0.081  0.030  0.255  1.0
  Pb  Pb4  1  0.682  0.314  0.115  1.0
  Pb  Pb5  1  0.318  0.686  0.885  1.0
  O  O6  1  0.241  0.019  0.999  1.0
  O  O7  1  0.863  0.284  0.793  1.0
  O  O8  1  0.836  0.617  0.692  1.0
  O  O9  1  0.548  0.191  0.396  1.0
  O  O10  1  0.759  0.981  0.001  1.0
  O  O11  1  0.452  0.809  0.604  1.0
  O  O12  1  0.607  0.686  0.253  1.0
  O  O13  1  0.393  0.314  0.747  1.0
  O  O14  1  0.137  0.716  0.207  1.0
  O  O15  1  0.164  0.383  0.308  1.0
[/CIF]
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