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Title: Materials Data on LaBWO6 by Materials Project

Abstract

LaBWO6 crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. La3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of La–O bond distances ranging from 2.44–2.84 Å. W6+ is bonded to five O2- atoms to form distorted corner-sharing WO5 trigonal bipyramids. There are a spread of W–O bond distances ranging from 1.80–2.27 Å. B3+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.34 Å) and two longer (1.40 Å) B–O bond length. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent La3+ and one W6+ atom. In the second O2- site, O2- is bonded in a linear geometry to one La3+ and one W6+ atom. In the third O2- site, O2- is bonded in a distorted linear geometry to two equivalent W6+ atoms. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent La3+ and one W6+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent La3+ and one B3+ atom. In the sixth O2- site, O2- ismore » bonded in a distorted bent 120 degrees geometry to one La3+ and two equivalent B3+ atoms.« less

Publication Date:
Other Number(s):
mp-1211317
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; LaBWO6; B-La-O-W
OSTI Identifier:
1707384
DOI:
https://doi.org/10.17188/1707384

Citation Formats

The Materials Project. Materials Data on LaBWO6 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1707384.
The Materials Project. Materials Data on LaBWO6 by Materials Project. United States. doi:https://doi.org/10.17188/1707384
The Materials Project. 2019. "Materials Data on LaBWO6 by Materials Project". United States. doi:https://doi.org/10.17188/1707384. https://www.osti.gov/servlets/purl/1707384. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1707384,
title = {Materials Data on LaBWO6 by Materials Project},
author = {The Materials Project},
abstractNote = {LaBWO6 crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. La3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of La–O bond distances ranging from 2.44–2.84 Å. W6+ is bonded to five O2- atoms to form distorted corner-sharing WO5 trigonal bipyramids. There are a spread of W–O bond distances ranging from 1.80–2.27 Å. B3+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.34 Å) and two longer (1.40 Å) B–O bond length. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent La3+ and one W6+ atom. In the second O2- site, O2- is bonded in a linear geometry to one La3+ and one W6+ atom. In the third O2- site, O2- is bonded in a distorted linear geometry to two equivalent W6+ atoms. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent La3+ and one W6+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent La3+ and one B3+ atom. In the sixth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one La3+ and two equivalent B3+ atoms.},
doi = {10.17188/1707384},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}