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Title: Materials Data on Cs(FeAs)2 by Materials Project

Abstract

CsFe2As2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Cs1+ is bonded in a distorted body-centered cubic geometry to eight equivalent As3- atoms. All Cs–As bond lengths are 3.66 Å. Fe+2.50+ is bonded to four equivalent As3- atoms to form a mixture of corner and edge-sharing FeAs4 tetrahedra. All Fe–As bond lengths are 2.34 Å. As3- is bonded in a 8-coordinate geometry to four equivalent Cs1+ and four equivalent Fe+2.50+ atoms.

Publication Date:
Other Number(s):
mp-28884
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; Cs(FeAs)2; As-Cs-Fe
OSTI Identifier:
1202962
DOI:
https://doi.org/10.17188/1202962

Citation Formats

The Materials Project. Materials Data on Cs(FeAs)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1202962.
The Materials Project. Materials Data on Cs(FeAs)2 by Materials Project. United States. doi:https://doi.org/10.17188/1202962
The Materials Project. 2020. "Materials Data on Cs(FeAs)2 by Materials Project". United States. doi:https://doi.org/10.17188/1202962. https://www.osti.gov/servlets/purl/1202962. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1202962,
title = {Materials Data on Cs(FeAs)2 by Materials Project},
author = {The Materials Project},
abstractNote = {CsFe2As2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Cs1+ is bonded in a distorted body-centered cubic geometry to eight equivalent As3- atoms. All Cs–As bond lengths are 3.66 Å. Fe+2.50+ is bonded to four equivalent As3- atoms to form a mixture of corner and edge-sharing FeAs4 tetrahedra. All Fe–As bond lengths are 2.34 Å. As3- is bonded in a 8-coordinate geometry to four equivalent Cs1+ and four equivalent Fe+2.50+ atoms.},
doi = {10.17188/1202962},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}