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Title: Materials Data on NaSbClOF3 by Materials Project

Abstract

NaSbOClF3 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. Na1+ is bonded in a 6-coordinate geometry to one O2- and five F1- atoms. The Na–O bond length is 2.48 Å. There are a spread of Na–F bond distances ranging from 2.38–2.50 Å. Sb5+ is bonded in a 3-coordinate geometry to two equivalent Cl1- and three F1- atoms. Both Sb–Cl bond lengths are 2.93 Å. There is one shorter (1.97 Å) and two longer (2.01 Å) Sb–F bond length. O2- is bonded in a distorted water-like geometry to one Na1+ and one Cl1- atom. The O–Cl bond length is 2.39 Å. Cl1- is bonded in a 3-coordinate geometry to two equivalent Sb5+ and one O2- atom. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a 3-coordinate geometry to two equivalent Na1+ and one Sb5+ atom. In the second F1- site, F1- is bonded in a distorted trigonal planar geometry to two equivalent Na1+ and one Sb5+ atom. In the third F1- site, F1- is bonded in a distorted water-like geometry to one Na1+ and one Sb5+ atom.

Publication Date:
Other Number(s):
mp-1198269
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; NaSbClOF3; Cl-F-Na-O-Sb
OSTI Identifier:
1705540
DOI:
https://doi.org/10.17188/1705540

Citation Formats

The Materials Project. Materials Data on NaSbClOF3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1705540.
The Materials Project. Materials Data on NaSbClOF3 by Materials Project. United States. doi:https://doi.org/10.17188/1705540
The Materials Project. 2020. "Materials Data on NaSbClOF3 by Materials Project". United States. doi:https://doi.org/10.17188/1705540. https://www.osti.gov/servlets/purl/1705540. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1705540,
title = {Materials Data on NaSbClOF3 by Materials Project},
author = {The Materials Project},
abstractNote = {NaSbOClF3 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. Na1+ is bonded in a 6-coordinate geometry to one O2- and five F1- atoms. The Na–O bond length is 2.48 Å. There are a spread of Na–F bond distances ranging from 2.38–2.50 Å. Sb5+ is bonded in a 3-coordinate geometry to two equivalent Cl1- and three F1- atoms. Both Sb–Cl bond lengths are 2.93 Å. There is one shorter (1.97 Å) and two longer (2.01 Å) Sb–F bond length. O2- is bonded in a distorted water-like geometry to one Na1+ and one Cl1- atom. The O–Cl bond length is 2.39 Å. Cl1- is bonded in a 3-coordinate geometry to two equivalent Sb5+ and one O2- atom. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a 3-coordinate geometry to two equivalent Na1+ and one Sb5+ atom. In the second F1- site, F1- is bonded in a distorted trigonal planar geometry to two equivalent Na1+ and one Sb5+ atom. In the third F1- site, F1- is bonded in a distorted water-like geometry to one Na1+ and one Sb5+ atom.},
doi = {10.17188/1705540},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}