Materials Data on Rb2U6Pt4Se17 by Materials Project

Abstract

Rb2U6Pt4Se17 crystallizes in the tetragonal P4/mnc space group. The structure is three-dimensional. Rb1+ is bonded in a 9-coordinate geometry to nine Se2- atoms. There are a spread of Rb–Se bond distances ranging from 3.44–3.60 Å. There are two inequivalent U6+ sites. In the first U6+ site, U6+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are four shorter (2.92 Å) and four longer (3.04 Å) U–Se bond lengths. In the second U6+ site, U6+ is bonded in a 7-coordinate geometry to seven Se2- atoms. There are a spread of U–Se bond distances ranging from 2.82–2.95 Å. Pt1- is bonded in a distorted square co-planar geometry to four Se2- atoms. There are two shorter (2.50 Å) and two longer (2.51 Å) Pt–Se bond lengths. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 4-coordinate geometry to one Rb1+, two U6+, and one Pt1- atom. In the second Se2- site, Se2- is bonded to one Rb1+, three U6+, and one Pt1- atom to form distorted SeRbU3Pt square pyramids that share corners with six equivalent SeRbU3Pt square pyramids, edges with two equivalent SeRbU3Pt square pyramids, a faceface with one SeRb2U4 octahedra, and a faceface with one SeRbU3Pt square pyramid. In the third Se2- site, Se2- is bonded to two equivalent Rb1+ and four equivalent U6+ atoms to form distorted face-sharing SeRb2U4 octahedra.