Title: Materials Data on NbI2O by Materials Project

Abstract

NbOI2 crystallizes in the monoclinic C2 space group. The structure is two-dimensional and consists of two NbOI2 sheets oriented in the (1, 0, 0) direction. Nb4+ is bonded in a distorted linear geometry to two equivalent O2- and four I1- atoms. There is one shorter (1.85 Å) and one longer (2.12 Å) Nb–O bond length. There are two shorter (2.80 Å) and two longer (2.92 Å) Nb–I bond lengths. O2- is bonded in a linear geometry to two equivalent Nb4+ atoms. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a 2-coordinate geometry to two equivalent Nb4+ atoms. In the second I1- site, I1- is bonded in a distorted water-like geometry to two equivalent Nb4+ atoms.

Publication Date:
Other Number(s):
mp-549720
DOE Contract Number:  
AC02-05CH11231;
Research Org.:
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Collaborations:
The Materials Project; MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE; crystal structure; I-Nb-O; NbI2O
OSTI Identifier:
1267394
DOI:
https://doi.org/10.17188/1267394

Citation Formats

Materials Data on NbI2O by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1267394.
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Materials Data on NbI2O by Materials Project. United States. doi:https://doi.org/10.17188/1267394
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2020. "Materials Data on NbI2O by Materials Project". United States. doi:https://doi.org/10.17188/1267394. https://www.osti.gov/servlets/purl/1267394. Pub date:Wed Jul 15 20:00:00 EDT 2020
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@article{osti_1267394,
title = {Materials Data on NbI2O by Materials Project},
abstractNote = {NbOI2 crystallizes in the monoclinic C2 space group. The structure is two-dimensional and consists of two NbOI2 sheets oriented in the (1, 0, 0) direction. Nb4+ is bonded in a distorted linear geometry to two equivalent O2- and four I1- atoms. There is one shorter (1.85 Å) and one longer (2.12 Å) Nb–O bond length. There are two shorter (2.80 Å) and two longer (2.92 Å) Nb–I bond lengths. O2- is bonded in a linear geometry to two equivalent Nb4+ atoms. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a 2-coordinate geometry to two equivalent Nb4+ atoms. In the second I1- site, I1- is bonded in a distorted water-like geometry to two equivalent Nb4+ atoms.},
doi = {10.17188/1267394},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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DOI: https://doi.org/10.17188/1267394
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