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Title: 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.

Authors:
Publication Date:
Other Number(s):
mp-754116
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; BaY2Br8; Ba-Br-Y
OSTI Identifier:
1289252
DOI:
https://doi.org/10.17188/1289252

Citation Formats

The Materials Project. Materials Data on BaY2Br8 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1289252.
The Materials Project. Materials Data on BaY2Br8 by Materials Project. United States. doi:https://doi.org/10.17188/1289252
The Materials Project. 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},
author = {The 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}
}