The structure described by Ca2V2PbO8 crystallizes in the trigonal R3m space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 4-coordinate geometry to one O(4) and three equivalent O(1) atoms. In the second Ca site, Ca(2) is bonded in a 6-coordinate geometry to three equivalent O(1) and three equivalent O(2) atoms. There are two inequivalent V sites. In the first V site, V(1) is bonded in a tetrahedral geometry to one O(3) and three equivalent O(2) atoms. In the second V site, V(2) is bonded in a tetrahedral geometry to one O(4) and three equivalent O(1) atoms. Pb(1) is bonded in a 4-coordinate geometry to one O(3) and three equivalent O(2) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Ca(1), one Ca(2), and one V(2) atom. In the second O site, O(2) is bonded in a 1-coordinate geometry to one Ca(2), one V(1), and one Pb(1) atom. In the third O site, O(3) is bonded in a distorted linear geometry to one V(1) and one Pb(1) atom. In the fourth O site, O(4) is bonded in a linear geometry to one Ca(1) and one V(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca2V2PbO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.258
_cell_length_b   7.258
_cell_length_c   7.258
_cell_angle_alpha   46.495
_cell_angle_beta   46.495
_cell_angle_gamma   46.495
_symmetry_Int_Tables_number   1
_cell_volume   183.678
_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  0.195  0.195  0.195  1.0
  Ca  Ca1  1  1.000  1.000  1.000  1.0
  V  V2  1  0.596  0.596  0.596  1.0
  V  V3  1  0.402  0.402  0.402  1.0
  Pb  Pb4  1  0.805  0.805  0.805  1.0
  O  O5  1  0.265  0.767  0.265  1.0
  O  O6  1  0.265  0.265  0.767  1.0
  O  O7  1  0.767  0.265  0.265  1.0
  O  O8  1  0.738  0.232  0.738  1.0
  O  O9  1  0.738  0.738  0.232  1.0
  O  O10  1  0.232  0.738  0.738  1.0
  O  O11  1  0.684  0.684  0.684  1.0
  O  O12  1  0.313  0.313  0.313  1.0
[/CIF]
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The structure described by Ca2V2PbO8 crystallizes in the trigonal R3m space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 4-coordinate geometry to one O(4) and three equivalent O(1) atoms. In the second Ca site, Ca(2) is bonded in a 6-coordinate geometry to three equivalent O(1) and three equivalent O(2) atoms. There are two inequivalent V sites. In the first V site, V(1) is bonded in a tetrahedral geometry to one O(3) and three equivalent O(2) atoms. In the second V site, V(2) is bonded in a tetrahedral geometry to one O(4) and three equivalent O(1) atoms. Pb(1) is bonded in a 4-coordinate geometry to one O(3) and three equivalent O(2) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Ca(1), one Ca(2), and one V(2) atom. In the second O site, O(2) is bonded in a 1-coordinate geometry to one Ca(2), one V(1), and one Pb(1) atom. In the third O site, O(3) is bonded in a distorted linear geometry to one V(1) and one Pb(1) atom. In the fourth O site, O(4) is bonded in a linear geometry to one Ca(1) and one V(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca2V2PbO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.258
_cell_length_b   7.258
_cell_length_c   7.258
_cell_angle_alpha   46.495
_cell_angle_beta   46.495
_cell_angle_gamma   46.495
_symmetry_Int_Tables_number   1
_cell_volume   183.678
_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  0.195  0.195  0.195  1.0
  Ca  Ca1  1  1.000  1.000  1.000  1.0
  V  V2  1  0.596  0.596  0.596  1.0
  V  V3  1  0.402  0.402  0.402  1.0
  Pb  Pb4  1  0.805  0.805  0.805  1.0
  O  O5  1  0.265  0.767  0.265  1.0
  O  O6  1  0.265  0.265  0.767  1.0
  O  O7  1  0.767  0.265  0.265  1.0
  O  O8  1  0.738  0.232  0.738  1.0
  O  O9  1  0.738  0.738  0.232  1.0
  O  O10  1  0.232  0.738  0.738  1.0
  O  O11  1  0.684  0.684  0.684  1.0
  O  O12  1  0.313  0.313  0.313  1.0
[/CIF]
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