U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on CsEr(TaBr3)6 by Materials Project
Abstract
CsErTa6Br18 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 (4.09 Å) and six longer (4.17 Å) Cs–Br bond lengths. Er is bonded in an octahedral geometry to six equivalent Br atoms. All Er–Br bond lengths are 2.83 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 3-coordinate geometry to one Cs, one Er, and one Ta atom. In the second Br site, Br is bonded in a 2-coordinate geometry to two equivalent Ta atoms. In the third Br site, Br is bonded in a 3-coordinate geometry to one Cs and two equivalent Ta atoms.
- Publication Date:
- Other Number(s):
- mp-571010
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; Br-Cs-Er-Ta; CsEr(TaBr3)6; crystal structure
- OSTI Identifier:
- 1276050
- DOI:
- https://doi.org/10.17188/1276050
Citation Formats
Materials Data on CsEr(TaBr3)6 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1276050.
Materials Data on CsEr(TaBr3)6 by Materials Project. United States. doi:https://doi.org/10.17188/1276050
2020.
"Materials Data on CsEr(TaBr3)6 by Materials Project". United States. doi:https://doi.org/10.17188/1276050. https://www.osti.gov/servlets/purl/1276050. Pub date:Wed Jul 15 04:00:00 UTC 2020
@article{osti_1276050,
title = {Materials Data on CsEr(TaBr3)6 by Materials Project},
abstractNote = {CsErTa6Br18 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 (4.09 Å) and six longer (4.17 Å) Cs–Br bond lengths. Er is bonded in an octahedral geometry to six equivalent Br atoms. All Er–Br bond lengths are 2.83 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 3-coordinate geometry to one Cs, one Er, and one Ta atom. In the second Br site, Br is bonded in a 2-coordinate geometry to two equivalent Ta atoms. In the third Br site, Br is bonded in a 3-coordinate geometry to one Cs and two equivalent Ta atoms.},
doi = {10.17188/1276050},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}