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Title: Materials Data on FeCl3 by Materials Project

Abstract

FeCl3 crystallizes in the triclinic P1 space group. The structure is one-dimensional and consists of two FeCl3 ribbons oriented in the (1, 0, 0) direction. Fe3+ is bonded to four Cl1- atoms to form corner-sharing FeCl4 tetrahedra. There are a spread of Fe–Cl bond distances ranging from 2.14–2.36 Å. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Fe3+ atom. In the second Cl1- site, Cl1- is bonded in a water-like geometry to two equivalent Fe3+ atoms. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Fe3+ atom.

Authors:
Publication Date:
Other Number(s):
mp-676241
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; FeCl3; Cl-Fe
OSTI Identifier:
1282970
DOI:
https://doi.org/10.17188/1282970

Citation Formats

The Materials Project. Materials Data on FeCl3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1282970.
The Materials Project. Materials Data on FeCl3 by Materials Project. United States. doi:https://doi.org/10.17188/1282970
The Materials Project. 2020. "Materials Data on FeCl3 by Materials Project". United States. doi:https://doi.org/10.17188/1282970. https://www.osti.gov/servlets/purl/1282970. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1282970,
title = {Materials Data on FeCl3 by Materials Project},
author = {The Materials Project},
abstractNote = {FeCl3 crystallizes in the triclinic P1 space group. The structure is one-dimensional and consists of two FeCl3 ribbons oriented in the (1, 0, 0) direction. Fe3+ is bonded to four Cl1- atoms to form corner-sharing FeCl4 tetrahedra. There are a spread of Fe–Cl bond distances ranging from 2.14–2.36 Å. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Fe3+ atom. In the second Cl1- site, Cl1- is bonded in a water-like geometry to two equivalent Fe3+ atoms. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Fe3+ atom.},
doi = {10.17188/1282970},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}