The structure described by CaV2Bi2(PbO5)2 crystallizes in the monoclinic C2 space group. Ca(1) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms to form distorted CaO6 octahedra that share corners with two equivalent V(1)O4 tetrahedra, corners with four equivalent Bi(1)O5 trigonal bipyramids, and edges with two equivalent V(1)O4 tetrahedra. V(1) is bonded to one O(3), one O(4), one O(5), and one O(6) atom to form VO4 tetrahedra that share  a cornercorner with one Ca(1)O6 octahedra, corners with three equivalent Bi(1)O5 trigonal bipyramids, and  an edgeedge with one Ca(1)O6 octahedra. The corner-sharing octahedral tilt angles are 38°. Pb(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. Bi(1) is bonded to one O(1), one O(2), one O(3), one O(5), and one O(6) atom to form distorted BiO5 trigonal bipyramids that share corners with two equivalent Ca(1)O6 octahedra, corners with three equivalent V(1)O4 tetrahedra, and  an edgeedge with one Bi(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 66-78°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted tetrahedral geometry to two equivalent Pb(1) and two equivalent Bi(1) atoms. In the second O site, O(2) is bonded in a distorted water-like geometry to two equivalent Pb(1) and two equivalent Bi(1) atoms. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Ca(1), one V(1), one Pb(1), and one Bi(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Ca(1), one V(1), and one Pb(1) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Ca(1), one V(1), one Pb(1), and one Bi(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one V(1), one Pb(1), and one Bi(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CaV2Bi2(PbO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.012
_cell_length_b   7.193
_cell_length_c   6.906
_cell_angle_alpha   96.541
_cell_angle_beta   120.511
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   297.421
_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
  Ca  Ca0  1  0.816  0.500  0.000  1.0
  V  V1  1  0.287  0.606  0.427  1.0
  V  V2  1  0.860  0.394  0.573  1.0
  Bi  Bi3  1  0.350  0.240  0.016  1.0
  Bi  Bi4  1  0.334  0.760  0.984  1.0
  Pb  Pb5  1  0.004  0.093  0.283  1.0
  Pb  Pb6  1  0.721  0.907  0.717  1.0
  O  O7  1  0.149  0.000  0.000  1.0
  O  O8  1  0.550  0.000  0.000  1.0
  O  O9  1  0.749  0.380  0.268  1.0
  O  O10  1  0.480  0.620  0.732  1.0
  O  O11  1  0.731  0.270  0.686  1.0
  O  O12  1  0.044  0.730  0.314  1.0
  O  O13  1  0.949  0.623  0.767  1.0
  O  O14  1  0.182  0.377  0.233  1.0
  O  O15  1  0.114  0.259  0.647  1.0
  O  O16  1  0.467  0.741  0.353  1.0
[/CIF]
.
The structure described by CaV2Bi2(PbO5)2 crystallizes in the monoclinic C2 space group. Ca(1) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms to form distorted CaO6 octahedra that share corners with two equivalent V(1)O4 tetrahedra, corners with four equivalent Bi(1)O5 trigonal bipyramids, and edges with two equivalent V(1)O4 tetrahedra. V(1) is bonded to one O(3), one O(4), one O(5), and one O(6) atom to form VO4 tetrahedra that share  a cornercorner with one Ca(1)O6 octahedra, corners with three equivalent Bi(1)O5 trigonal bipyramids, and  an edgeedge with one Ca(1)O6 octahedra. The corner-sharing octahedral tilt angles are 38°. Pb(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. Bi(1) is bonded to one O(1), one O(2), one O(3), one O(5), and one O(6) atom to form distorted BiO5 trigonal bipyramids that share corners with two equivalent Ca(1)O6 octahedra, corners with three equivalent V(1)O4 tetrahedra, and  an edgeedge with one Bi(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 66-78°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted tetrahedral geometry to two equivalent Pb(1) and two equivalent Bi(1) atoms. In the second O site, O(2) is bonded in a distorted water-like geometry to two equivalent Pb(1) and two equivalent Bi(1) atoms. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Ca(1), one V(1), one Pb(1), and one Bi(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Ca(1), one V(1), and one Pb(1) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Ca(1), one V(1), one Pb(1), and one Bi(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one V(1), one Pb(1), and one Bi(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CaV2Bi2(PbO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.012
_cell_length_b   7.193
_cell_length_c   6.906
_cell_angle_alpha   96.541
_cell_angle_beta   120.511
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   297.421
_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
  Ca  Ca0  1  0.816  0.500  0.000  1.0
  V  V1  1  0.287  0.606  0.427  1.0
  V  V2  1  0.860  0.394  0.573  1.0
  Bi  Bi3  1  0.350  0.240  0.016  1.0
  Bi  Bi4  1  0.334  0.760  0.984  1.0
  Pb  Pb5  1  0.004  0.093  0.283  1.0
  Pb  Pb6  1  0.721  0.907  0.717  1.0
  O  O7  1  0.149  0.000  0.000  1.0
  O  O8  1  0.550  0.000  0.000  1.0
  O  O9  1  0.749  0.380  0.268  1.0
  O  O10  1  0.480  0.620  0.732  1.0
  O  O11  1  0.731  0.270  0.686  1.0
  O  O12  1  0.044  0.730  0.314  1.0
  O  O13  1  0.949  0.623  0.767  1.0
  O  O14  1  0.182  0.377  0.233  1.0
  O  O15  1  0.114  0.259  0.647  1.0
  O  O16  1  0.467  0.741  0.353  1.0
[/CIF]
.