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Title: Materials Data on Y3BrO4 by Materials Project

Abstract

Y3O4Br crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Y3+ sites. In the first Y3+ site, Y3+ is bonded in a 5-coordinate geometry to five O2- and two equivalent Br1- atoms. There are a spread of Y–O bond distances ranging from 2.23–2.32 Å. Both Y–Br bond lengths are 3.24 Å. In the second Y3+ site, Y3+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Y–O bond distances ranging from 2.18–2.30 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to four Y3+ atoms to form corner-sharing OY4 tetrahedra. In the second O2- site, O2- is bonded in a 4-coordinate geometry to four Y3+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to three Y3+ atoms. Br1- is bonded in a 4-coordinate geometry to four equivalent Y3+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-560029
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; Y3BrO4; Br-O-Y
OSTI Identifier:
1271227
DOI:
https://doi.org/10.17188/1271227

Citation Formats

The Materials Project. Materials Data on Y3BrO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1271227.
The Materials Project. Materials Data on Y3BrO4 by Materials Project. United States. doi:https://doi.org/10.17188/1271227
The Materials Project. 2020. "Materials Data on Y3BrO4 by Materials Project". United States. doi:https://doi.org/10.17188/1271227. https://www.osti.gov/servlets/purl/1271227. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1271227,
title = {Materials Data on Y3BrO4 by Materials Project},
author = {The Materials Project},
abstractNote = {Y3O4Br crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Y3+ sites. In the first Y3+ site, Y3+ is bonded in a 5-coordinate geometry to five O2- and two equivalent Br1- atoms. There are a spread of Y–O bond distances ranging from 2.23–2.32 Å. Both Y–Br bond lengths are 3.24 Å. In the second Y3+ site, Y3+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Y–O bond distances ranging from 2.18–2.30 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to four Y3+ atoms to form corner-sharing OY4 tetrahedra. In the second O2- site, O2- is bonded in a 4-coordinate geometry to four Y3+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to three Y3+ atoms. Br1- is bonded in a 4-coordinate geometry to four equivalent Y3+ atoms.},
doi = {10.17188/1271227},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}