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Title: Materials Data on NaSbNO4F3 by Materials Project

Abstract

NaSbNO4F3 crystallizes in the orthorhombic Pbca space group. The structure is two-dimensional and consists of two NaSbNO4F3 sheets oriented in the (0, 0, 1) direction. Na1+ is bonded in a 7-coordinate geometry to two equivalent O2- and five F1- atoms. There are one shorter (2.49 Å) and one longer (2.54 Å) Na–O bond lengths. There are a spread of Na–F bond distances ranging from 2.31–2.55 Å. Sb5+ is bonded in a 4-coordinate geometry to one O2- and three F1- atoms. The Sb–O bond length is 2.42 Å. There are a spread of Sb–F bond distances ranging from 1.96–2.02 Å. N5+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of N–O bond distances ranging from 1.24–1.30 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one N5+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Sb5+ and one N5+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one N5+ atom. In the fourth O2- site, O2- is bonded in a distorted water-like geometry to two equivalent Na1+ atoms. Theremore » are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a 2-coordinate geometry to one Na1+ and one Sb5+ atom. In the second F1- site, F1- is bonded in a 3-coordinate geometry to two equivalent Na1+ and one Sb5+ atom. In the third F1- site, F1- is bonded in a 3-coordinate geometry to two equivalent Na1+ and one Sb5+ atom.« less

Publication Date:
Other Number(s):
mp-1200283
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; NaSbNO4F3; F-N-Na-O-Sb
OSTI Identifier:
1750968
DOI:
https://doi.org/10.17188/1750968

Citation Formats

The Materials Project. Materials Data on NaSbNO4F3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1750968.
The Materials Project. Materials Data on NaSbNO4F3 by Materials Project. United States. doi:https://doi.org/10.17188/1750968
The Materials Project. 2020. "Materials Data on NaSbNO4F3 by Materials Project". United States. doi:https://doi.org/10.17188/1750968. https://www.osti.gov/servlets/purl/1750968. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1750968,
title = {Materials Data on NaSbNO4F3 by Materials Project},
author = {The Materials Project},
abstractNote = {NaSbNO4F3 crystallizes in the orthorhombic Pbca space group. The structure is two-dimensional and consists of two NaSbNO4F3 sheets oriented in the (0, 0, 1) direction. Na1+ is bonded in a 7-coordinate geometry to two equivalent O2- and five F1- atoms. There are one shorter (2.49 Å) and one longer (2.54 Å) Na–O bond lengths. There are a spread of Na–F bond distances ranging from 2.31–2.55 Å. Sb5+ is bonded in a 4-coordinate geometry to one O2- and three F1- atoms. The Sb–O bond length is 2.42 Å. There are a spread of Sb–F bond distances ranging from 1.96–2.02 Å. N5+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of N–O bond distances ranging from 1.24–1.30 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one N5+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Sb5+ and one N5+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one N5+ atom. In the fourth O2- site, O2- is bonded in a distorted water-like geometry to two equivalent Na1+ atoms. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a 2-coordinate geometry to one Na1+ and one Sb5+ atom. In the second F1- site, F1- is bonded in a 3-coordinate geometry to two equivalent Na1+ and one Sb5+ atom. In the third F1- site, F1- is bonded in a 3-coordinate geometry to two equivalent Na1+ and one Sb5+ atom.},
doi = {10.17188/1750968},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}