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Title: Materials Data on Fe2As by Materials Project

Abstract

Fe2As crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. there are two inequivalent Fe sites. In the first Fe site, Fe is bonded in a 5-coordinate geometry to five equivalent As atoms. There are one shorter (2.42 Å) and four longer (2.61 Å) Fe–As bond lengths. In the second Fe site, Fe is bonded to four equivalent As atoms to form a mixture of distorted edge and corner-sharing FeAs4 tetrahedra. All Fe–As bond lengths are 2.39 Å. As is bonded in a 9-coordinate geometry to nine Fe atoms.

Publication Date:
Other Number(s):
mp-20426
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; Fe2As; As-Fe
OSTI Identifier:
1195551
DOI:
https://doi.org/10.17188/1195551

Citation Formats

The Materials Project. Materials Data on Fe2As by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1195551.
The Materials Project. Materials Data on Fe2As by Materials Project. United States. doi:https://doi.org/10.17188/1195551
The Materials Project. 2020. "Materials Data on Fe2As by Materials Project". United States. doi:https://doi.org/10.17188/1195551. https://www.osti.gov/servlets/purl/1195551. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1195551,
title = {Materials Data on Fe2As by Materials Project},
author = {The Materials Project},
abstractNote = {Fe2As crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. there are two inequivalent Fe sites. In the first Fe site, Fe is bonded in a 5-coordinate geometry to five equivalent As atoms. There are one shorter (2.42 Å) and four longer (2.61 Å) Fe–As bond lengths. In the second Fe site, Fe is bonded to four equivalent As atoms to form a mixture of distorted edge and corner-sharing FeAs4 tetrahedra. All Fe–As bond lengths are 2.39 Å. As is bonded in a 9-coordinate geometry to nine Fe atoms.},
doi = {10.17188/1195551},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}