CaUF6 crystallizes in the hexagonal P-6m2 space group. Ca(1) is bonded to two equivalent F(3), three equivalent F(1), and six equivalent F(4) atoms to form distorted face-sharing CaF11 trigonal bipyramids. U(1) is bonded in a 11-coordinate geometry to two equivalent F(4), three equivalent F(2), and six equivalent F(3) atoms. There are four inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to three equivalent Ca(1) atoms. In the second F site, F(2) is bonded in a trigonal planar geometry to three equivalent U(1) atoms. In the third F site, F(3) is bonded to one Ca(1) and three equivalent U(1) atoms to form a mixture of distorted face and corner-sharing FCaU3 tetrahedra. In the fourth F site, F(4) is bonded in a distorted single-bond geometry to three equivalent Ca(1) and one U(1) atom.
CaUF6 crystallizes in the hexagonal P-6m2 space group. Ca(1) is bonded to two equivalent F(3), three equivalent F(1), and six equivalent F(4) atoms to form distorted face-sharing CaF11 trigonal bipyramids. Both Ca(1)-F(3) bond lengths are 2.41 Å. All Ca(1)-F(1) bond lengths are 2.35 Å. All Ca(1)-F(4) bond lengths are 2.76 Å. U(1) is bonded in a 11-coordinate geometry to two equivalent F(4), three equivalent F(2), and six equivalent F(3) atoms. Both U(1)-F(4) bond lengths are 2.14 Å. All U(1)-F(2) bond lengths are 2.35 Å. All U(1)-F(3) bond lengths are 2.63 Å. There are four inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to three equivalent Ca(1) atoms. In the second F site, F(2) is bonded in a trigonal planar geometry to three equivalent U(1) atoms. In the third F site, F(3) is bonded to one Ca(1) and three equivalent U(1) atoms to form a mixture of distorted face and corner-sharing FCaU3 tetrahedra. In the fourth F site, F(4) is bonded in a distorted single-bond geometry to three equivalent Ca(1) and one U(1) atom.