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Title: Materials Data on FeAs by Materials Project

Abstract

FeAs is Modderite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Fe3+ is bonded to six equivalent As3- atoms to form a mixture of distorted corner, edge, and face-sharing FeAs6 octahedra. The corner-sharing octahedra tilt angles range from 44–56°. There are a spread of Fe–As bond distances ranging from 2.32–2.50 Å. As3- is bonded in a 6-coordinate geometry to six equivalent Fe3+ atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-427
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; FeAs; As-Fe
OSTI Identifier:
1208014
DOI:
10.17188/1208014

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on FeAs by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1208014.
Persson, Kristin, & Project, Materials. Materials Data on FeAs by Materials Project. United States. doi:10.17188/1208014.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on FeAs by Materials Project". United States. doi:10.17188/1208014. https://www.osti.gov/servlets/purl/1208014. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1208014,
title = {Materials Data on FeAs by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {FeAs is Modderite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Fe3+ is bonded to six equivalent As3- atoms to form a mixture of distorted corner, edge, and face-sharing FeAs6 octahedra. The corner-sharing octahedra tilt angles range from 44–56°. There are a spread of Fe–As bond distances ranging from 2.32–2.50 Å. As3- is bonded in a 6-coordinate geometry to six equivalent Fe3+ atoms.},
doi = {10.17188/1208014},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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