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Title: Materials Data on NbIO2 by Materials Project

Abstract

NbO2I crystallizes in the orthorhombic Pnma space group. The structure is two-dimensional and consists of two NbO2I sheets oriented in the (0, 0, 1) direction. Nb5+ is bonded in a 5-coordinate geometry to five O2- and two equivalent I1- atoms. There are a spread of Nb–O bond distances ranging from 1.81–2.20 Å. Both Nb–I bond lengths are 2.99 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to two equivalent Nb5+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to three equivalent Nb5+ and one I1- atom. The O–I bond length is 3.02 Å. I1- is bonded in a 2-coordinate geometry to two equivalent Nb5+ and one O2- atom.

Publication Date:
Other Number(s):
mp-557685
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; NbIO2; I-Nb-O
OSTI Identifier:
1269955
DOI:
10.17188/1269955

Citation Formats

The Materials Project. Materials Data on NbIO2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1269955.
The Materials Project. Materials Data on NbIO2 by Materials Project. United States. doi:10.17188/1269955.
The Materials Project. 2020. "Materials Data on NbIO2 by Materials Project". United States. doi:10.17188/1269955. https://www.osti.gov/servlets/purl/1269955. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1269955,
title = {Materials Data on NbIO2 by Materials Project},
author = {The Materials Project},
abstractNote = {NbO2I crystallizes in the orthorhombic Pnma space group. The structure is two-dimensional and consists of two NbO2I sheets oriented in the (0, 0, 1) direction. Nb5+ is bonded in a 5-coordinate geometry to five O2- and two equivalent I1- atoms. There are a spread of Nb–O bond distances ranging from 1.81–2.20 Å. Both Nb–I bond lengths are 2.99 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to two equivalent Nb5+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to three equivalent Nb5+ and one I1- atom. The O–I bond length is 3.02 Å. I1- is bonded in a 2-coordinate geometry to two equivalent Nb5+ and one O2- atom.},
doi = {10.17188/1269955},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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