U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on BaY2Br8 by Materials Project
Abstract
BaY2Br8 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Ba2+ is bonded in a 8-coordinate geometry to eight Br1- atoms. There are a spread of Ba–Br bond distances ranging from 3.25–3.44 Å. Y3+ is bonded in a 5-coordinate geometry to five Br1- atoms. There are a spread of Y–Br bond distances ranging from 2.60–2.92 Å. There are four inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a single-bond geometry to one Y3+ atom. In the second Br1- site, Br1- is bonded in a 3-coordinate geometry to two equivalent Ba2+ and one Y3+ atom. In the third Br1- site, Br1- is bonded in a 2-coordinate geometry to one Ba2+ and one Y3+ atom. In the fourth Br1- site, Br1- is bonded in a distorted trigonal non-coplanar geometry to one Ba2+ and two equivalent Y3+ atoms.
- Publication Date:
- Other Number(s):
- mp-754116
- 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; Ba-Br-Y; BaY2Br8; crystal structure
- OSTI Identifier:
- 1289252
- DOI:
- https://doi.org/10.17188/1289252
Citation Formats
Materials Data on BaY2Br8 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1289252.
Materials Data on BaY2Br8 by Materials Project. United States. doi:https://doi.org/10.17188/1289252
2020.
"Materials Data on BaY2Br8 by Materials Project". United States. doi:https://doi.org/10.17188/1289252. https://www.osti.gov/servlets/purl/1289252. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1289252,
title = {Materials Data on BaY2Br8 by Materials Project},
abstractNote = {BaY2Br8 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Ba2+ is bonded in a 8-coordinate geometry to eight Br1- atoms. There are a spread of Ba–Br bond distances ranging from 3.25–3.44 Å. Y3+ is bonded in a 5-coordinate geometry to five Br1- atoms. There are a spread of Y–Br bond distances ranging from 2.60–2.92 Å. There are four inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a single-bond geometry to one Y3+ atom. In the second Br1- site, Br1- is bonded in a 3-coordinate geometry to two equivalent Ba2+ and one Y3+ atom. In the third Br1- site, Br1- is bonded in a 2-coordinate geometry to one Ba2+ and one Y3+ atom. In the fourth Br1- site, Br1- is bonded in a distorted trigonal non-coplanar geometry to one Ba2+ and two equivalent Y3+ atoms.},
doi = {10.17188/1289252},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}