U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Er4OsBr4 by Materials Project
Abstract
Er4OsBr4 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Er sites. In the first Er site, Er is bonded to two equivalent Os and four Br atoms to form a mixture of distorted edge, face, and corner-sharing ErOs2Br4 pentagonal pyramids. There are one shorter (2.87 Å) and one longer (2.88 Å) Er–Os bond lengths. There are a spread of Er–Br bond distances ranging from 2.96–3.12 Å. In the second Er site, Er is bonded to two equivalent Os and four Br atoms to form a mixture of distorted edge, face, and corner-sharing ErOs2Br4 pentagonal pyramids. There are one shorter (2.87 Å) and one longer (2.88 Å) Er–Os bond lengths. There are a spread of Er–Br bond distances ranging from 2.95–3.09 Å. Os is bonded in a 8-coordinate geometry to eight Er atoms. There are two inequivalent Br sites. In the first Br site, Br is bonded in a 4-coordinate geometry to four Er atoms. In the second Br site, Br is bonded in a 4-coordinate geometry to four Er atoms.
- Publication Date:
- Other Number(s):
- mp-1212840
- 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-Er-Os; Er4OsBr4; crystal structure
- OSTI Identifier:
- 1695963
- DOI:
- https://doi.org/10.17188/1695963
Citation Formats
Materials Data on Er4OsBr4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1695963.
Materials Data on Er4OsBr4 by Materials Project. United States. doi:https://doi.org/10.17188/1695963
2020.
"Materials Data on Er4OsBr4 by Materials Project". United States. doi:https://doi.org/10.17188/1695963. https://www.osti.gov/servlets/purl/1695963. Pub date:Thu Apr 30 04:00:00 UTC 2020
@article{osti_1695963,
title = {Materials Data on Er4OsBr4 by Materials Project},
abstractNote = {Er4OsBr4 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Er sites. In the first Er site, Er is bonded to two equivalent Os and four Br atoms to form a mixture of distorted edge, face, and corner-sharing ErOs2Br4 pentagonal pyramids. There are one shorter (2.87 Å) and one longer (2.88 Å) Er–Os bond lengths. There are a spread of Er–Br bond distances ranging from 2.96–3.12 Å. In the second Er site, Er is bonded to two equivalent Os and four Br atoms to form a mixture of distorted edge, face, and corner-sharing ErOs2Br4 pentagonal pyramids. There are one shorter (2.87 Å) and one longer (2.88 Å) Er–Os bond lengths. There are a spread of Er–Br bond distances ranging from 2.95–3.09 Å. Os is bonded in a 8-coordinate geometry to eight Er atoms. There are two inequivalent Br sites. In the first Br site, Br is bonded in a 4-coordinate geometry to four Er atoms. In the second Br site, Br is bonded in a 4-coordinate geometry to four Er atoms.},
doi = {10.17188/1695963},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}