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Title: Materials Data on RhF3 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1196484· OSTI ID:1196484

RhF3 crystallizes in the trigonal P321 space group. The structure is three-dimensional. there are two inequivalent Rh3+ sites. In the first Rh3+ site, Rh3+ is bonded to six F1- atoms to form corner-sharing RhF6 octahedra. The corner-sharing octahedral tilt angles are 45°. There are three shorter (1.98 Å) and three longer (2.02 Å) Rh–F bond lengths. In the second Rh3+ site, Rh3+ is bonded to six equivalent F1- atoms to form distorted corner-sharing RhF6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 38°. All Rh–F bond lengths are 2.06 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 150 degrees geometry to two Rh3+ atoms. In the second F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two equivalent Rh3+ 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:
1196484
Report Number(s):
mp-21208
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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