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Title: Materials Data on FeSe by Materials Project

Abstract

FeSe is Modderite-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Fe2+ is bonded to six equivalent Se2- atoms to form a mixture of distorted edge, face, and corner-sharing FeSe6 octahedra. The corner-sharing octahedral tilt angles are 51°. All Fe–Se bond lengths are 2.53 Å. Se2- is bonded in a 6-coordinate geometry to six equivalent Fe2+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-1090
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; FeSe; Fe-Se
OSTI Identifier:
1187442
DOI:
https://doi.org/10.17188/1187442

Citation Formats

The Materials Project. Materials Data on FeSe by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1187442.
The Materials Project. Materials Data on FeSe by Materials Project. United States. doi:https://doi.org/10.17188/1187442
The Materials Project. 2020. "Materials Data on FeSe by Materials Project". United States. doi:https://doi.org/10.17188/1187442. https://www.osti.gov/servlets/purl/1187442. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1187442,
title = {Materials Data on FeSe by Materials Project},
author = {The Materials Project},
abstractNote = {FeSe is Modderite-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Fe2+ is bonded to six equivalent Se2- atoms to form a mixture of distorted edge, face, and corner-sharing FeSe6 octahedra. The corner-sharing octahedral tilt angles are 51°. All Fe–Se bond lengths are 2.53 Å. Se2- is bonded in a 6-coordinate geometry to six equivalent Fe2+ atoms.},
doi = {10.17188/1187442},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}