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

Title: Materials Data on FeCl3 by Materials Project

Abstract

FeCl3 is Aluminum trichloride-like structured and crystallizes in the trigonal P312 space group. The structure is two-dimensional and consists of three FeCl3 sheets oriented in the (0, 0, 1) direction. there are two inequivalent Fe3+ sites. In the first Fe3+ site, Fe3+ is bonded to six Cl1- atoms to form edge-sharing FeCl6 octahedra. There are three shorter (2.39 Å) and three longer (2.42 Å) Fe–Cl bond lengths. In the second Fe3+ site, Fe3+ is bonded to six Cl1- atoms to form edge-sharing FeCl6 octahedra. There are three shorter (2.39 Å) and three longer (2.41 Å) Fe–Cl bond lengths. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in an L-shaped geometry to two Fe3+ atoms. In the second Cl1- site, Cl1- is bonded in an L-shaped geometry to two Fe3+ atoms.

Publication Date:
Other Number(s):
mp-583463
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; FeCl3; Cl-Fe
OSTI Identifier:
1277058
DOI:
https://doi.org/10.17188/1277058

Citation Formats

The Materials Project. Materials Data on FeCl3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1277058.
The Materials Project. Materials Data on FeCl3 by Materials Project. United States. doi:https://doi.org/10.17188/1277058
The Materials Project. 2020. "Materials Data on FeCl3 by Materials Project". United States. doi:https://doi.org/10.17188/1277058. https://www.osti.gov/servlets/purl/1277058. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1277058,
title = {Materials Data on FeCl3 by Materials Project},
author = {The Materials Project},
abstractNote = {FeCl3 is Aluminum trichloride-like structured and crystallizes in the trigonal P312 space group. The structure is two-dimensional and consists of three FeCl3 sheets oriented in the (0, 0, 1) direction. there are two inequivalent Fe3+ sites. In the first Fe3+ site, Fe3+ is bonded to six Cl1- atoms to form edge-sharing FeCl6 octahedra. There are three shorter (2.39 Å) and three longer (2.42 Å) Fe–Cl bond lengths. In the second Fe3+ site, Fe3+ is bonded to six Cl1- atoms to form edge-sharing FeCl6 octahedra. There are three shorter (2.39 Å) and three longer (2.41 Å) Fe–Cl bond lengths. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in an L-shaped geometry to two Fe3+ atoms. In the second Cl1- site, Cl1- is bonded in an L-shaped geometry to two Fe3+ atoms.},
doi = {10.17188/1277058},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}