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Title: Materials Data on Fe(NCl)2 by Materials Project

Abstract

Fe(NCl)2 crystallizes in the orthorhombic Cmmm space group. The structure is one-dimensional and consists of two Fe(NCl)2 ribbons oriented in the (0, 0, 1) direction. Fe2+ is bonded to two equivalent N and four equivalent Cl1- atoms to form edge-sharing FeN2Cl4 octahedra. Both Fe–N bond lengths are 1.68 Å. All Fe–Cl bond lengths are 2.32 Å. N is bonded in a single-bond geometry to one Fe2+ atom. Cl1- is bonded in an L-shaped geometry to two equivalent Fe2+ atoms.

Publication Date:
Other Number(s):
mp-1097773
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; Fe(NCl)2; Cl-Fe-N
OSTI Identifier:
1651651
DOI:
https://doi.org/10.17188/1651651

Citation Formats

The Materials Project. Materials Data on Fe(NCl)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1651651.
The Materials Project. Materials Data on Fe(NCl)2 by Materials Project. United States. doi:https://doi.org/10.17188/1651651
The Materials Project. 2020. "Materials Data on Fe(NCl)2 by Materials Project". United States. doi:https://doi.org/10.17188/1651651. https://www.osti.gov/servlets/purl/1651651. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1651651,
title = {Materials Data on Fe(NCl)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Fe(NCl)2 crystallizes in the orthorhombic Cmmm space group. The structure is one-dimensional and consists of two Fe(NCl)2 ribbons oriented in the (0, 0, 1) direction. Fe2+ is bonded to two equivalent N and four equivalent Cl1- atoms to form edge-sharing FeN2Cl4 octahedra. Both Fe–N bond lengths are 1.68 Å. All Fe–Cl bond lengths are 2.32 Å. N is bonded in a single-bond geometry to one Fe2+ atom. Cl1- is bonded in an L-shaped geometry to two equivalent Fe2+ atoms.},
doi = {10.17188/1651651},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}