DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on CsLu(TaBr3)6 by Materials Project

Abstract

CsLu(TaBr3)6 crystallizes in the trigonal P-31c space group. The structure is three-dimensional. Cs is bonded in a 12-coordinate geometry to twelve Br atoms. There are six shorter (4.07 Å) and six longer (4.14 Å) Cs–Br bond lengths. Lu is bonded in an octahedral geometry to six equivalent Br atoms. All Lu–Br bond lengths are 2.81 Å. Ta is bonded in a 5-coordinate geometry to five Br atoms. There are a spread of Ta–Br bond distances ranging from 2.61–3.02 Å. There are three inequivalent Br sites. In the first Br site, Br is bonded in a 2-coordinate geometry to two equivalent Ta atoms. In the second Br site, Br is bonded in a 3-coordinate geometry to one Cs, one Lu, and one Ta atom. In the third Br site, Br is bonded in a 3-coordinate geometry to one Cs and two equivalent Ta atoms.

Authors:
Publication Date:
Other Number(s):
mp-1213389
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; CsLu(TaBr3)6; Br-Cs-Lu-Ta
OSTI Identifier:
1680320
DOI:
https://doi.org/10.17188/1680320

Citation Formats

The Materials Project. Materials Data on CsLu(TaBr3)6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1680320.
The Materials Project. Materials Data on CsLu(TaBr3)6 by Materials Project. United States. doi:https://doi.org/10.17188/1680320
The Materials Project. 2020. "Materials Data on CsLu(TaBr3)6 by Materials Project". United States. doi:https://doi.org/10.17188/1680320. https://www.osti.gov/servlets/purl/1680320. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1680320,
title = {Materials Data on CsLu(TaBr3)6 by Materials Project},
author = {The Materials Project},
abstractNote = {CsLu(TaBr3)6 crystallizes in the trigonal P-31c space group. The structure is three-dimensional. Cs is bonded in a 12-coordinate geometry to twelve Br atoms. There are six shorter (4.07 Å) and six longer (4.14 Å) Cs–Br bond lengths. Lu is bonded in an octahedral geometry to six equivalent Br atoms. All Lu–Br bond lengths are 2.81 Å. Ta is bonded in a 5-coordinate geometry to five Br atoms. There are a spread of Ta–Br bond distances ranging from 2.61–3.02 Å. There are three inequivalent Br sites. In the first Br site, Br is bonded in a 2-coordinate geometry to two equivalent Ta atoms. In the second Br site, Br is bonded in a 3-coordinate geometry to one Cs, one Lu, and one Ta atom. In the third Br site, Br is bonded in a 3-coordinate geometry to one Cs and two equivalent Ta atoms.},
doi = {10.17188/1680320},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}