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Title: Materials Data on FeI(NO)2 by Materials Project

Abstract

FeI(NO)2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four FeI(NO)2 clusters. Fe3+ is bonded to two N1+ and two equivalent I1- atoms to form distorted edge-sharing FeI2N2 tetrahedra. Both Fe–N bond lengths are 1.79 Å. There are one shorter (2.71 Å) and one longer (2.72 Å) Fe–I bond lengths. There are two inequivalent N1+ sites. In the first N1+ site, N1+ is bonded in a distorted bent 150 degrees geometry to one Fe3+ and one O2- atom. The N–O bond length is 1.19 Å. In the second N1+ site, N1+ is bonded in a distorted linear geometry to one Fe3+ and one O2- atom. The N–O bond length is 1.19 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one N1+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one N1+ atom. I1- is bonded in a 2-coordinate geometry to two equivalent Fe3+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-1197393
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; FeI(NO)2; Fe-I-N-O
OSTI Identifier:
1710127
DOI:
https://doi.org/10.17188/1710127

Citation Formats

The Materials Project. Materials Data on FeI(NO)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1710127.
The Materials Project. Materials Data on FeI(NO)2 by Materials Project. United States. doi:https://doi.org/10.17188/1710127
The Materials Project. 2020. "Materials Data on FeI(NO)2 by Materials Project". United States. doi:https://doi.org/10.17188/1710127. https://www.osti.gov/servlets/purl/1710127. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1710127,
title = {Materials Data on FeI(NO)2 by Materials Project},
author = {The Materials Project},
abstractNote = {FeI(NO)2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four FeI(NO)2 clusters. Fe3+ is bonded to two N1+ and two equivalent I1- atoms to form distorted edge-sharing FeI2N2 tetrahedra. Both Fe–N bond lengths are 1.79 Å. There are one shorter (2.71 Å) and one longer (2.72 Å) Fe–I bond lengths. There are two inequivalent N1+ sites. In the first N1+ site, N1+ is bonded in a distorted bent 150 degrees geometry to one Fe3+ and one O2- atom. The N–O bond length is 1.19 Å. In the second N1+ site, N1+ is bonded in a distorted linear geometry to one Fe3+ and one O2- atom. The N–O bond length is 1.19 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one N1+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one N1+ atom. I1- is bonded in a 2-coordinate geometry to two equivalent Fe3+ atoms.},
doi = {10.17188/1710127},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}