Materials Data on FeCl3 by Materials Project
Abstract
FeCl3 crystallizes in the triclinic P1 space group. The structure is one-dimensional and consists of one FeCl3 ribbon oriented in the (1, 0, 0) direction. there are two inequivalent Fe3+ sites. In the first Fe3+ site, Fe3+ is bonded to five Cl1- atoms to form corner-sharing FeCl5 trigonal bipyramids. There are a spread of Fe–Cl bond distances ranging from 2.13–2.30 Å. In the second Fe3+ site, Fe3+ is bonded in a distorted see-saw-like geometry to four Cl1- atoms. There are a spread of Fe–Cl bond distances ranging from 2.10–2.21 Å. There are six 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 an L-shaped geometry to two Fe3+ atoms. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Fe3+ atom. In the fourth Cl1- site, Cl1- is bonded in a single-bond geometry to one Fe3+ atom. In the fifth Cl1- site, Cl1- is bonded in an L-shaped geometry to two Fe3+ atoms. In the sixth Cl1- site, Cl1- is bonded in a bent 120 degrees geometry to two equivalent Fe3+ atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-645418
- 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:
- 1280543
- DOI:
- https://doi.org/10.17188/1280543
Citation Formats
The Materials Project. Materials Data on FeCl3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1280543.
The Materials Project. Materials Data on FeCl3 by Materials Project. United States. doi:https://doi.org/10.17188/1280543
The Materials Project. 2020.
"Materials Data on FeCl3 by Materials Project". United States. doi:https://doi.org/10.17188/1280543. https://www.osti.gov/servlets/purl/1280543. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1280543,
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 one FeCl3 ribbon oriented in the (1, 0, 0) direction. there are two inequivalent Fe3+ sites. In the first Fe3+ site, Fe3+ is bonded to five Cl1- atoms to form corner-sharing FeCl5 trigonal bipyramids. There are a spread of Fe–Cl bond distances ranging from 2.13–2.30 Å. In the second Fe3+ site, Fe3+ is bonded in a distorted see-saw-like geometry to four Cl1- atoms. There are a spread of Fe–Cl bond distances ranging from 2.10–2.21 Å. There are six 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 an L-shaped geometry to two Fe3+ atoms. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Fe3+ atom. In the fourth Cl1- site, Cl1- is bonded in a single-bond geometry to one Fe3+ atom. In the fifth Cl1- site, Cl1- is bonded in an L-shaped geometry to two Fe3+ atoms. In the sixth Cl1- site, Cl1- is bonded in a bent 120 degrees geometry to two equivalent Fe3+ atoms.},
doi = {10.17188/1280543},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Jul 23 00:00:00 EDT 2020},
month = {Thu Jul 23 00:00:00 EDT 2020}
}