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.
- Authors:
- Publication Date:
- Other Number(s):
- mp-549720
- 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; NbI2O; I-Nb-O
- OSTI Identifier:
- 1267394
- DOI:
- https://doi.org/10.17188/1267394
Citation Formats
The Materials Project. Materials Data on NbI2O by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1267394.
The Materials Project. Materials Data on NbI2O by Materials Project. United States. doi:https://doi.org/10.17188/1267394
The Materials Project. 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:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1267394,
title = {Materials Data on NbI2O by Materials Project},
author = {The 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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