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Title: Materials Data on LaBiO4 by Materials Project

Abstract

LaBiO4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. La3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.44–2.70 Å. Bi5+ is bonded to five O2- atoms to form distorted corner-sharing BiO5 trigonal bipyramids. There are a spread of Bi–O bond distances ranging from 2.04–2.26 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent La3+ and one Bi5+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to one La3+ and two equivalent Bi5+ atoms. In the third O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent La3+ and one Bi5+ atom. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to three equivalent La3+ and one Bi5+ atom.

Publication Date:
Other Number(s):
mp-770464
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; LaBiO4; Bi-La-O
OSTI Identifier:
1299790
DOI:
10.17188/1299790

Citation Formats

The Materials Project. Materials Data on LaBiO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1299790.
The Materials Project. Materials Data on LaBiO4 by Materials Project. United States. doi:10.17188/1299790.
The Materials Project. 2020. "Materials Data on LaBiO4 by Materials Project". United States. doi:10.17188/1299790. https://www.osti.gov/servlets/purl/1299790. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1299790,
title = {Materials Data on LaBiO4 by Materials Project},
author = {The Materials Project},
abstractNote = {LaBiO4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. La3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.44–2.70 Å. Bi5+ is bonded to five O2- atoms to form distorted corner-sharing BiO5 trigonal bipyramids. There are a spread of Bi–O bond distances ranging from 2.04–2.26 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent La3+ and one Bi5+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to one La3+ and two equivalent Bi5+ atoms. In the third O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent La3+ and one Bi5+ atom. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to three equivalent La3+ and one Bi5+ atom.},
doi = {10.17188/1299790},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

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