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Title: Materials Data on LaAsO4 by Materials Project

Abstract

LaAsO4 crystallizes in the monoclinic P2_1/c 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 2.49–2.99 Å. As5+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.72 Å) and two longer (1.73 Å) As–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent La3+ and one As5+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent La3+ and one As5+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent La3+ and one As5+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent La3+ and one As5+ atom.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-4917
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; LaAsO4; As-La-O
OSTI Identifier:
1208487
DOI:
10.17188/1208487

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on LaAsO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1208487.
Persson, Kristin, & Project, Materials. Materials Data on LaAsO4 by Materials Project. United States. doi:10.17188/1208487.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on LaAsO4 by Materials Project". United States. doi:10.17188/1208487. https://www.osti.gov/servlets/purl/1208487. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1208487,
title = {Materials Data on LaAsO4 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {LaAsO4 crystallizes in the monoclinic P2_1/c 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 2.49–2.99 Å. As5+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.72 Å) and two longer (1.73 Å) As–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent La3+ and one As5+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent La3+ and one As5+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent La3+ and one As5+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent La3+ and one As5+ atom.},
doi = {10.17188/1208487},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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