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Title: Materials Data on NaNbO2F by Materials Project

Abstract

NaNbO2F crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Na1+ is bonded in a 6-coordinate geometry to four equivalent O2- and two equivalent F1- atoms. There are two shorter (2.49 Å) and two longer (2.61 Å) Na–O bond lengths. There are one shorter (2.36 Å) and one longer (2.68 Å) Na–F bond lengths. Nb4+ is bonded to four equivalent O2- and two equivalent F1- atoms to form corner-sharing NbO4F2 octahedra. The corner-sharing octahedra tilt angles range from 22–33°. There are two shorter (2.01 Å) and two longer (2.02 Å) Nb–O bond lengths. Both Nb–F bond lengths are 2.17 Å. O2- is bonded in a 4-coordinate geometry to two equivalent Na1+ and two equivalent Nb4+ atoms. F1- is bonded in a 4-coordinate geometry to two equivalent Na1+ and two equivalent Nb4+ atoms.

Publication Date:
Other Number(s):
mp-557590
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; NaNbO2F; F-Na-Nb-O
OSTI Identifier:
1269912
DOI:
https://doi.org/10.17188/1269912

Citation Formats

The Materials Project. Materials Data on NaNbO2F by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1269912.
The Materials Project. Materials Data on NaNbO2F by Materials Project. United States. doi:https://doi.org/10.17188/1269912
The Materials Project. 2020. "Materials Data on NaNbO2F by Materials Project". United States. doi:https://doi.org/10.17188/1269912. https://www.osti.gov/servlets/purl/1269912. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1269912,
title = {Materials Data on NaNbO2F by Materials Project},
author = {The Materials Project},
abstractNote = {NaNbO2F crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Na1+ is bonded in a 6-coordinate geometry to four equivalent O2- and two equivalent F1- atoms. There are two shorter (2.49 Å) and two longer (2.61 Å) Na–O bond lengths. There are one shorter (2.36 Å) and one longer (2.68 Å) Na–F bond lengths. Nb4+ is bonded to four equivalent O2- and two equivalent F1- atoms to form corner-sharing NbO4F2 octahedra. The corner-sharing octahedra tilt angles range from 22–33°. There are two shorter (2.01 Å) and two longer (2.02 Å) Nb–O bond lengths. Both Nb–F bond lengths are 2.17 Å. O2- is bonded in a 4-coordinate geometry to two equivalent Na1+ and two equivalent Nb4+ atoms. F1- is bonded in a 4-coordinate geometry to two equivalent Na1+ and two equivalent Nb4+ atoms.},
doi = {10.17188/1269912},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}