Materials Data on RbU3F13 by Materials Project

Abstract

RbU3F13 crystallizes in the orthorhombic Pmc2_1 space group. The structure is three-dimensional. Rb1+ is bonded in a 5-coordinate geometry to eleven F1- atoms. There are a spread of Rb–F bond distances ranging from 2.78–3.37 Å. There are two inequivalent U4+ sites. In the first U4+ site, U4+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of U–F bond distances ranging from 2.24–2.48 Å. In the second U4+ site, U4+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of U–F bond distances ranging from 2.22–2.48 Å. There are nine inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted linear geometry to two equivalent U4+ atoms. In the second F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Rb1+ and two U4+ atoms. In the third F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Rb1+ and two U4+ atoms. In the fourth F1- site, F1- is bonded in a distorted trigonal planar geometry to one Rb1+ and two U4+ atoms. In the fifth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Rb1+ and two equivalent U4+ atoms. In the sixth F1- site, F1- is bonded in a distorted trigonal planar geometry to one Rb1+ and two equivalent U4+ atoms. In the seventh F1- site, F1- is bonded to two equivalent Rb1+ and two equivalent U4+ atoms to form distorted corner-sharing FRb2U2 tetrahedra. In the eighth F1- site, F1- is bonded in a bent 120 degrees geometry to two equivalent U4+ atoms. In the ninth F1- site, F1- is bonded in a distorted trigonal non-coplanar geometry to three U4+ atoms.