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Title: Materials Data on NaI(OF)2 by Materials Project

Abstract

NaI(OF)2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Na1+ is bonded to two equivalent O2- and four equivalent F1- atoms to form edge-sharing NaO2F4 octahedra. Both Na–O bond lengths are 2.39 Å. All Na–F bond lengths are 2.39 Å. O2- is bonded in a distorted bent 150 degrees geometry to one Na1+ and one I5+ atom. The O–I bond length is 1.80 Å. I5+ is bonded in a distorted see-saw-like geometry to two equivalent O2- and two equivalent F1- atoms. Both I–F bond lengths are 2.07 Å. F1- is bonded in a distorted trigonal planar geometry to two equivalent Na1+ and one I5+ atom.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-554948
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; NaI(OF)2; F-I-Na-O
OSTI Identifier:
1268271
DOI:
10.17188/1268271

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on NaI(OF)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1268271.
Persson, Kristin, & Project, Materials. Materials Data on NaI(OF)2 by Materials Project. United States. doi:10.17188/1268271.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on NaI(OF)2 by Materials Project". United States. doi:10.17188/1268271. https://www.osti.gov/servlets/purl/1268271. Pub date:Sat May 09 00:00:00 EDT 2020
@article{osti_1268271,
title = {Materials Data on NaI(OF)2 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {NaI(OF)2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Na1+ is bonded to two equivalent O2- and four equivalent F1- atoms to form edge-sharing NaO2F4 octahedra. Both Na–O bond lengths are 2.39 Å. All Na–F bond lengths are 2.39 Å. O2- is bonded in a distorted bent 150 degrees geometry to one Na1+ and one I5+ atom. The O–I bond length is 1.80 Å. I5+ is bonded in a distorted see-saw-like geometry to two equivalent O2- and two equivalent F1- atoms. Both I–F bond lengths are 2.07 Å. F1- is bonded in a distorted trigonal planar geometry to two equivalent Na1+ and one I5+ atom.},
doi = {10.17188/1268271},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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