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Title: Materials Data on ReAs3 by Materials Project

Abstract

ReAs3 is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Re3+ sites. In the first Re3+ site, Re3+ is bonded in a distorted body-centered cubic geometry to fourteen As1- atoms. There are a spread of Re–As bond distances ranging from 2.78–3.28 Å. In the second Re3+ site, Re3+ is bonded in a distorted body-centered cubic geometry to fourteen As1- atoms. There are a spread of Re–As bond distances ranging from 2.78–3.28 Å. There are three inequivalent As1- sites. In the first As1- site, As1- is bonded in a distorted body-centered cubic geometry to four Re3+ and four As1- atoms. All As–As bond lengths are 2.78 Å. In the second As1- site, As1- is bonded in a 12-coordinate geometry to six Re3+ and eight equivalent As1- atoms. In the third As1- site, As1- is bonded in a 12-coordinate geometry to six Re3+ and eight equivalent As1- atoms.

Publication Date:
Other Number(s):
mp-1186907
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; ReAs3; As-Re
OSTI Identifier:
1724826
DOI:
https://doi.org/10.17188/1724826

Citation Formats

The Materials Project. Materials Data on ReAs3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1724826.
The Materials Project. Materials Data on ReAs3 by Materials Project. United States. doi:https://doi.org/10.17188/1724826
The Materials Project. 2020. "Materials Data on ReAs3 by Materials Project". United States. doi:https://doi.org/10.17188/1724826. https://www.osti.gov/servlets/purl/1724826. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1724826,
title = {Materials Data on ReAs3 by Materials Project},
author = {The Materials Project},
abstractNote = {ReAs3 is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Re3+ sites. In the first Re3+ site, Re3+ is bonded in a distorted body-centered cubic geometry to fourteen As1- atoms. There are a spread of Re–As bond distances ranging from 2.78–3.28 Å. In the second Re3+ site, Re3+ is bonded in a distorted body-centered cubic geometry to fourteen As1- atoms. There are a spread of Re–As bond distances ranging from 2.78–3.28 Å. There are three inequivalent As1- sites. In the first As1- site, As1- is bonded in a distorted body-centered cubic geometry to four Re3+ and four As1- atoms. All As–As bond lengths are 2.78 Å. In the second As1- site, As1- is bonded in a 12-coordinate geometry to six Re3+ and eight equivalent As1- atoms. In the third As1- site, As1- is bonded in a 12-coordinate geometry to six Re3+ and eight equivalent As1- atoms.},
doi = {10.17188/1724826},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}