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.
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°. Both Ca(1)-O(1) bond lengths are 2.37 Å. Both Ca(1)-O(2) bond lengths are 2.36 Å. Both Ca(1)-O(3) bond lengths are 2.45 Å. 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°. Both U(1)-O(1) bond lengths are 2.16 Å. Both U(1)-O(2) bond lengths are 2.13 Å. Both U(1)-O(3) bond lengths are 2.04 Å. Pb(1) is bonded in a 5-coordinate geometry to one O(3), two equivalent O(1), and two equivalent O(2) atoms. The Pb(1)-O(3) bond length is 2.77 Å. There is one shorter (2.43 Å) and one longer (2.60 Å) Pb(1)-O(1) bond length. There is one shorter (2.54 Å) and one longer (2.59 Å) Pb(1)-O(2) bond length. 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.