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Title: Materials Data on FeSe2 by Materials Project

Abstract

FeSe2 is Marcasite structured and crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. Fe3+ is bonded to six equivalent Se+1.50- atoms to form a mixture of corner and edge-sharing FeSe6 octahedra. The corner-sharing octahedral tilt angles are 57°. There are two shorter (2.37 Å) and four longer (2.38 Å) Fe–Se bond lengths. Se+1.50- is bonded in a 3-coordinate geometry to three equivalent Fe3+ atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-760
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; FeSe2; Fe-Se
OSTI Identifier:
1282025
DOI:
10.17188/1282025

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on FeSe2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1282025.
Persson, Kristin, & Project, Materials. Materials Data on FeSe2 by Materials Project. United States. doi:10.17188/1282025.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on FeSe2 by Materials Project". United States. doi:10.17188/1282025. https://www.osti.gov/servlets/purl/1282025. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1282025,
title = {Materials Data on FeSe2 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {FeSe2 is Marcasite structured and crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. Fe3+ is bonded to six equivalent Se+1.50- atoms to form a mixture of corner and edge-sharing FeSe6 octahedra. The corner-sharing octahedral tilt angles are 57°. There are two shorter (2.37 Å) and four longer (2.38 Å) Fe–Se bond lengths. Se+1.50- is bonded in a 3-coordinate geometry to three equivalent Fe3+ atoms.},
doi = {10.17188/1282025},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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