DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on CeAsO4 by Materials Project

Abstract

CeAsO4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Ce3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Ce–O bond distances ranging from 2.45–2.98 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 Ce3+ and one As5+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to three equivalent Ce3+ and one As5+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Ce3+ and one As5+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Ce3+ and one As5+ atom.

Publication Date:
Other Number(s):
mp-10772
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; CeAsO4; As-Ce-O
OSTI Identifier:
1187352
DOI:
https://doi.org/10.17188/1187352

Citation Formats

The Materials Project. Materials Data on CeAsO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1187352.
The Materials Project. Materials Data on CeAsO4 by Materials Project. United States. doi:https://doi.org/10.17188/1187352
The Materials Project. 2020. "Materials Data on CeAsO4 by Materials Project". United States. doi:https://doi.org/10.17188/1187352. https://www.osti.gov/servlets/purl/1187352. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1187352,
title = {Materials Data on CeAsO4 by Materials Project},
author = {The Materials Project},
abstractNote = {CeAsO4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Ce3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Ce–O bond distances ranging from 2.45–2.98 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 Ce3+ and one As5+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to three equivalent Ce3+ and one As5+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Ce3+ and one As5+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Ce3+ and one As5+ atom.},
doi = {10.17188/1187352},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}