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Title: Materials Data on RbF3 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1314794· OSTI ID:1314794

RbF3 crystallizes in the monoclinic Pm space group. The structure is three-dimensional. there are two inequivalent Rb sites. In the first Rb site, Rb is bonded in a 12-coordinate geometry to twelve F atoms. There are a spread of Rb–F bond distances ranging from 2.89–3.28 Å. In the second Rb site, Rb is bonded to twelve F atoms to form a mixture of distorted corner and face-sharing RbF12 cuboctahedra. There are a spread of Rb–F bond distances ranging from 2.89–3.29 Å. There are six inequivalent F sites. In the first F site, F is bonded in a distorted see-saw-like geometry to four Rb atoms. In the second F site, F is bonded in a distorted see-saw-like geometry to four Rb atoms. In the third F site, F is bonded in a 2-coordinate geometry to four Rb atoms. In the fourth F site, F is bonded in a distorted see-saw-like geometry to four Rb atoms. In the fifth F site, F is bonded in a distorted see-saw-like geometry to four Rb atoms. In the sixth F site, F is bonded in a 2-coordinate geometry to four Rb atoms.

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:
1314794
Report Number(s):
mp-975422
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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