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Title: Materials Data on Fe3Se4 by Materials Project

Abstract

Fe3Se4 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Fe+2.67+ sites. In the first Fe+2.67+ site, Fe+2.67+ is bonded in a 4-coordinate geometry to four Se2- atoms. There are a spread of Fe–Se bond distances ranging from 2.33–2.59 Å. In the second Fe+2.67+ site, Fe+2.67+ is bonded in a square co-planar geometry to four Se2- atoms. There are two shorter (2.32 Å) and two longer (2.41 Å) Fe–Se bond lengths. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 4-coordinate geometry to four Fe+2.67+ atoms. In the second Se2- site, Se2- is bonded in a distorted linear geometry to two Fe+2.67+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-684963
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; Fe3Se4; Fe-Se
OSTI Identifier:
1284049
DOI:
https://doi.org/10.17188/1284049

Citation Formats

The Materials Project. Materials Data on Fe3Se4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1284049.
The Materials Project. Materials Data on Fe3Se4 by Materials Project. United States. doi:https://doi.org/10.17188/1284049
The Materials Project. 2020. "Materials Data on Fe3Se4 by Materials Project". United States. doi:https://doi.org/10.17188/1284049. https://www.osti.gov/servlets/purl/1284049. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1284049,
title = {Materials Data on Fe3Se4 by Materials Project},
author = {The Materials Project},
abstractNote = {Fe3Se4 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Fe+2.67+ sites. In the first Fe+2.67+ site, Fe+2.67+ is bonded in a 4-coordinate geometry to four Se2- atoms. There are a spread of Fe–Se bond distances ranging from 2.33–2.59 Å. In the second Fe+2.67+ site, Fe+2.67+ is bonded in a square co-planar geometry to four Se2- atoms. There are two shorter (2.32 Å) and two longer (2.41 Å) Fe–Se bond lengths. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 4-coordinate geometry to four Fe+2.67+ atoms. In the second Se2- site, Se2- is bonded in a distorted linear geometry to two Fe+2.67+ atoms.},
doi = {10.17188/1284049},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Jul 23 00:00:00 EDT 2020},
month = {Thu Jul 23 00:00:00 EDT 2020}
}