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Title: Materials Data on Sr3RhF12 by Materials Project

Abstract

Sr3RhF12 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Sr sites. In the first Sr site, Sr is bonded in a 4-coordinate geometry to four equivalent F atoms. All Sr–F bond lengths are 2.46 Å. In the second Sr site, Sr is bonded in a 8-coordinate geometry to eight F atoms. There are a spread of Sr–F bond distances ranging from 2.44–2.96 Å. Rh is bonded in a distorted body-centered cubic geometry to eight F atoms. There are four shorter (1.91 Å) and four longer (2.31 Å) Rh–F bond lengths. There are three inequivalent F sites. In the first F site, F is bonded in a distorted trigonal planar geometry to two Sr and one Rh atom. In the second F site, F is bonded in a 2-coordinate geometry to three equivalent Sr atoms. In the third F site, F is bonded in a single-bond geometry to one Rh atom.

Publication Date:
Other Number(s):
mp-1211210
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Sr3RhF12; F-Rh-Sr
OSTI Identifier:
1663789
DOI:
https://doi.org/10.17188/1663789

Citation Formats

The Materials Project. Materials Data on Sr3RhF12 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1663789.
The Materials Project. Materials Data on Sr3RhF12 by Materials Project. United States. doi:https://doi.org/10.17188/1663789
The Materials Project. 2019. "Materials Data on Sr3RhF12 by Materials Project". United States. doi:https://doi.org/10.17188/1663789. https://www.osti.gov/servlets/purl/1663789. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1663789,
title = {Materials Data on Sr3RhF12 by Materials Project},
author = {The Materials Project},
abstractNote = {Sr3RhF12 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Sr sites. In the first Sr site, Sr is bonded in a 4-coordinate geometry to four equivalent F atoms. All Sr–F bond lengths are 2.46 Å. In the second Sr site, Sr is bonded in a 8-coordinate geometry to eight F atoms. There are a spread of Sr–F bond distances ranging from 2.44–2.96 Å. Rh is bonded in a distorted body-centered cubic geometry to eight F atoms. There are four shorter (1.91 Å) and four longer (2.31 Å) Rh–F bond lengths. There are three inequivalent F sites. In the first F site, F is bonded in a distorted trigonal planar geometry to two Sr and one Rh atom. In the second F site, F is bonded in a 2-coordinate geometry to three equivalent Sr atoms. In the third F site, F is bonded in a single-bond geometry to one Rh atom.},
doi = {10.17188/1663789},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}