The compound described by Pb2CaUO6 crystallizes in the monoclinic P2_1/c space group. Ca(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form CaO6 octahedra that share corners with six equivalent U(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 32-33°. U(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form UO6 octahedra that share corners with six equivalent Ca(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 32-33°. Pb(1) is bonded in a 5-coordinate geometry to one O(3), two equivalent O(1), and two equivalent O(2) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Ca(1), one U(1), and two equivalent Pb(1) atoms to form a mixture of distorted edge and corner-sharing OCaUPb2 tetrahedra. In the second O site, O(2) is bonded to one Ca(1), one U(1), and two equivalent Pb(1) atoms to form a mixture of distorted edge and corner-sharing OCaUPb2 trigonal pyramids. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Ca(1), one U(1), and one Pb(1) atom. is represented by the CIF file [CIF]
data_CaU(PbO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.240
_cell_length_b   5.957
_cell_length_c   8.697
_cell_angle_alpha   90.066
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   323.276
_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
  Ca  Ca0  1  0.500  0.000  0.500  1.0
  Ca  Ca1  1  0.000  0.500  0.000  1.0
  U  U2  1  0.500  0.000  0.000  1.0
  U  U3  1  0.000  0.500  0.500  1.0
  Pb  Pb4  1  0.454  0.511  0.771  1.0
  Pb  Pb5  1  0.046  0.011  0.271  1.0
  Pb  Pb6  1  0.546  0.489  0.229  1.0
  Pb  Pb7  1  0.954  0.989  0.729  1.0
  O  O8  1  0.047  0.593  0.738  1.0
  O  O9  1  0.453  0.093  0.238  1.0
  O  O10  1  0.953  0.407  0.262  1.0
  O  O11  1  0.547  0.907  0.762  1.0
  O  O12  1  0.171  0.193  0.525  1.0
  O  O13  1  0.329  0.693  0.025  1.0
  O  O14  1  0.829  0.807  0.475  1.0
  O  O15  1  0.671  0.307  0.975  1.0
  O  O16  1  0.271  0.674  0.446  1.0
  O  O17  1  0.229  0.174  0.946  1.0
  O  O18  1  0.729  0.326  0.554  1.0
  O  O19  1  0.771  0.826  0.054  1.0
[/CIF]
.
The compound described by Pb2CaUO6 crystallizes in the monoclinic P2_1/c space group. Ca(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form CaO6 octahedra that share corners with six equivalent U(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 32-33°. U(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form UO6 octahedra that share corners with six equivalent Ca(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 32-33°. Pb(1) is bonded in a 5-coordinate geometry to one O(3), two equivalent O(1), and two equivalent O(2) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Ca(1), one U(1), and two equivalent Pb(1) atoms to form a mixture of distorted edge and corner-sharing OCaUPb2 tetrahedra. In the second O site, O(2) is bonded to one Ca(1), one U(1), and two equivalent Pb(1) atoms to form a mixture of distorted edge and corner-sharing OCaUPb2 trigonal pyramids. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Ca(1), one U(1), and one Pb(1) atom. is represented by the CIF file [CIF]
data_CaU(PbO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.240
_cell_length_b   5.957
_cell_length_c   8.697
_cell_angle_alpha   90.066
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   323.276
_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
  Ca  Ca0  1  0.500  0.000  0.500  1.0
  Ca  Ca1  1  0.000  0.500  0.000  1.0
  U  U2  1  0.500  0.000  0.000  1.0
  U  U3  1  0.000  0.500  0.500  1.0
  Pb  Pb4  1  0.454  0.511  0.771  1.0
  Pb  Pb5  1  0.046  0.011  0.271  1.0
  Pb  Pb6  1  0.546  0.489  0.229  1.0
  Pb  Pb7  1  0.954  0.989  0.729  1.0
  O  O8  1  0.047  0.593  0.738  1.0
  O  O9  1  0.453  0.093  0.238  1.0
  O  O10  1  0.953  0.407  0.262  1.0
  O  O11  1  0.547  0.907  0.762  1.0
  O  O12  1  0.171  0.193  0.525  1.0
  O  O13  1  0.329  0.693  0.025  1.0
  O  O14  1  0.829  0.807  0.475  1.0
  O  O15  1  0.671  0.307  0.975  1.0
  O  O16  1  0.271  0.674  0.446  1.0
  O  O17  1  0.229  0.174  0.946  1.0
  O  O18  1  0.729  0.326  0.554  1.0
  O  O19  1  0.771  0.826  0.054  1.0
[/CIF]
.