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Title: Materials Data on Cs3Rb by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1309530· OSTI ID:1309530

Cs3Rb is beta-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Cs is bonded to eight equivalent Cs and four equivalent Rb atoms to form CsCs8Rb4 cuboctahedra that share corners with four equivalent RbCs12 cuboctahedra, corners with fourteen equivalent CsCs8Rb4 cuboctahedra, edges with six equivalent RbCs12 cuboctahedra, edges with twelve equivalent CsCs8Rb4 cuboctahedra, faces with four equivalent RbCs12 cuboctahedra, and faces with sixteen equivalent CsCs8Rb4 cuboctahedra. There are a spread of Cs–Cs bond distances ranging from 5.34–5.41 Å. There are two shorter (5.34 Å) and two longer (5.37 Å) Cs–Rb bond lengths. Rb is bonded to twelve equivalent Cs atoms to form RbCs12 cuboctahedra that share corners with six equivalent RbCs12 cuboctahedra, corners with twelve equivalent CsCs8Rb4 cuboctahedra, edges with eighteen equivalent CsCs8Rb4 cuboctahedra, faces with eight equivalent RbCs12 cuboctahedra, and faces with twelve equivalent CsCs8Rb4 cuboctahedra.

Research Organization:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Contributing Organization:
MIT; UC Berkeley; Duke; U Louvain
DOE Contract Number:
AC02-05CH11231; EDCBEE
OSTI ID:
1309530
Report Number(s):
mp-862689
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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