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Title: Materials Data on CeAgAs2 by Materials Project

Abstract

CeAgAs2 crystallizes in the orthorhombic Pmn2_1 space group. The structure is three-dimensional. Ce3+ is bonded in a 8-coordinate geometry to eight As2- atoms. There are three shorter (3.04 Å) and five longer (3.05 Å) Ce–As bond lengths. Ag1+ is bonded in a 8-coordinate geometry to four equivalent Ag1+ and four equivalent As2- atoms. All Ag–Ag bond lengths are 2.90 Å. There are a spread of Ag–As bond distances ranging from 2.79–2.84 Å. There are two inequivalent As2- sites. In the first As2- site, As2- is bonded in a 8-coordinate geometry to four equivalent Ce3+ and four equivalent Ag1+ atoms. In the second As2- site, As2- is bonded in a 8-coordinate geometry to four equivalent Ce3+ and four equivalent As2- atoms. All As–As bond lengths are 2.90 Å.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-20384
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; CeAgAs2; Ag-As-Ce
OSTI Identifier:
1195514
DOI:
10.17188/1195514

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on CeAgAs2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1195514.
Persson, Kristin, & Project, Materials. Materials Data on CeAgAs2 by Materials Project. United States. doi:10.17188/1195514.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on CeAgAs2 by Materials Project". United States. doi:10.17188/1195514. https://www.osti.gov/servlets/purl/1195514. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1195514,
title = {Materials Data on CeAgAs2 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {CeAgAs2 crystallizes in the orthorhombic Pmn2_1 space group. The structure is three-dimensional. Ce3+ is bonded in a 8-coordinate geometry to eight As2- atoms. There are three shorter (3.04 Å) and five longer (3.05 Å) Ce–As bond lengths. Ag1+ is bonded in a 8-coordinate geometry to four equivalent Ag1+ and four equivalent As2- atoms. All Ag–Ag bond lengths are 2.90 Å. There are a spread of Ag–As bond distances ranging from 2.79–2.84 Å. There are two inequivalent As2- sites. In the first As2- site, As2- is bonded in a 8-coordinate geometry to four equivalent Ce3+ and four equivalent Ag1+ atoms. In the second As2- site, As2- is bonded in a 8-coordinate geometry to four equivalent Ce3+ and four equivalent As2- atoms. All As–As bond lengths are 2.90 Å.},
doi = {10.17188/1195514},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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