Materials Data on Cs2UF7 by Materials Project

Cs2UF7 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 1-coordinate geometry to eight F1- atoms. There are a spread of Cs–F bond distances ranging from 2.65–3.46 Å. In the second Cs1+ site, Cs1+ is bonded in a 6-coordinate geometry to six F1- atoms. There are a spread of Cs–F bond distances ranging from 2.77–3.36 Å. U5+ is bonded in an octahedral geometry to six F1- atoms. There are five shorter (2.09 Å) and one longer (2.11 Å) U–F bond lengths. There are seven inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to two Cs1+ and one U5+ atom. In the second F1- site, F1- is bonded in a distorted single-bond geometry to one Cs1+ and one U5+ atom. In the third F1- site, F1- is bonded in a distorted single-bond geometry to three Cs1+ and one U5+ atom. In the fourth F1- site, F1- is bonded in a distorted single-bond geometry to one Cs1+ and one U5+ atom. In the fifth F1- site, F1- is bonded in a distorted single-bond geometry to two equivalent Cs1+ and one U5+ atom. In the sixth F1- site, F1- is bonded in a trigonal planar geometry to three Cs1+ atoms. In the seventh F1- site, F1- is bonded in a distorted single-bond geometry to two Cs1+ and one U5+ atom.