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

Abstract

BaFe2As2 is alpha bismuth trifluoride-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ba2+ is bonded in a body-centered cubic geometry to eight equivalent As3- atoms. All Ba–As bond lengths are 3.42 Å. Fe2+ is bonded to four equivalent As3- atoms to form a mixture of corner and edge-sharing FeAs4 tetrahedra. All Fe–As bond lengths are 2.32 Å. As3- is bonded in a 8-coordinate geometry to four equivalent Ba2+ and four equivalent Fe2+ atoms.

Publication Date:
Other Number(s):
mp-568961
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; Ba(FeAs)2; As-Ba-Fe
OSTI Identifier:
1274845
DOI:
10.17188/1274845

Citation Formats

The Materials Project. Materials Data on Ba(FeAs)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1274845.
The Materials Project. Materials Data on Ba(FeAs)2 by Materials Project. United States. doi:10.17188/1274845.
The Materials Project. 2020. "Materials Data on Ba(FeAs)2 by Materials Project". United States. doi:10.17188/1274845. https://www.osti.gov/servlets/purl/1274845. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1274845,
title = {Materials Data on Ba(FeAs)2 by Materials Project},
author = {The Materials Project},
abstractNote = {BaFe2As2 is alpha bismuth trifluoride-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ba2+ is bonded in a body-centered cubic geometry to eight equivalent As3- atoms. All Ba–As bond lengths are 3.42 Å. Fe2+ is bonded to four equivalent As3- atoms to form a mixture of corner and edge-sharing FeAs4 tetrahedra. All Fe–As bond lengths are 2.32 Å. As3- is bonded in a 8-coordinate geometry to four equivalent Ba2+ and four equivalent Fe2+ atoms.},
doi = {10.17188/1274845},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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