DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on FePSe3 by Materials Project

Abstract

FePSe3 crystallizes in the trigonal R-3 space group. The structure is two-dimensional and consists of three FePSe3 sheets oriented in the (0, 0, 1) direction. Fe3+ is bonded to six equivalent Se2- atoms to form edge-sharing FeSe6 octahedra. There are three shorter (2.40 Å) and three longer (2.41 Å) Fe–Se bond lengths. P3+ is bonded in a trigonal planar geometry to three equivalent Se2- atoms. All P–Se bond lengths are 2.35 Å. Se2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Fe3+ and one P3+ atom.

Authors:
Publication Date:
Other Number(s):
mp-2928
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; FePSe3; Fe-P-Se
OSTI Identifier:
1203649
DOI:
https://doi.org/10.17188/1203649

Citation Formats

The Materials Project. Materials Data on FePSe3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1203649.
The Materials Project. Materials Data on FePSe3 by Materials Project. United States. doi:https://doi.org/10.17188/1203649
The Materials Project. 2020. "Materials Data on FePSe3 by Materials Project". United States. doi:https://doi.org/10.17188/1203649. https://www.osti.gov/servlets/purl/1203649. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1203649,
title = {Materials Data on FePSe3 by Materials Project},
author = {The Materials Project},
abstractNote = {FePSe3 crystallizes in the trigonal R-3 space group. The structure is two-dimensional and consists of three FePSe3 sheets oriented in the (0, 0, 1) direction. Fe3+ is bonded to six equivalent Se2- atoms to form edge-sharing FeSe6 octahedra. There are three shorter (2.40 Å) and three longer (2.41 Å) Fe–Se bond lengths. P3+ is bonded in a trigonal planar geometry to three equivalent Se2- atoms. All P–Se bond lengths are 2.35 Å. Se2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Fe3+ and one P3+ atom.},
doi = {10.17188/1203649},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}