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Title: Materials Data on SbSNF6 by Materials Project

Abstract

SbNSF6 crystallizes in the orthorhombic Pbca space group. The structure is one-dimensional and consists of four SbNSF6 ribbons oriented in the (0, 1, 0) direction. Sb3+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of Sb–F bond distances ranging from 1.91–1.93 Å. N5+ is bonded in a single-bond geometry to one S2- atom. The N–S bond length is 1.43 Å. S2- is bonded in a 1-coordinate geometry to one N5+ and two F1- atoms. There are one shorter (2.56 Å) and one longer (2.58 Å) S–F bond lengths. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to one Sb3+ and one S2- atom. In the second F1- site, F1- is bonded in a distorted single-bond geometry to one Sb3+ and one S2- atom. In the third F1- site, F1- is bonded in a distorted single-bond geometry to one Sb3+ atom. In the fourth F1- site, F1- is bonded in a distorted single-bond geometry to one Sb3+ atom. In the fifth F1- site, F1- is bonded in a single-bond geometry to one Sb3+ atom. In the sixth F1- site, F1- is bonded in amore » distorted single-bond geometry to one Sb3+ atom.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-683956
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; SbSNF6; F-N-S-Sb
OSTI Identifier:
1283817
DOI:
10.17188/1283817

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on SbSNF6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1283817.
Persson, Kristin, & Project, Materials. Materials Data on SbSNF6 by Materials Project. United States. doi:10.17188/1283817.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on SbSNF6 by Materials Project". United States. doi:10.17188/1283817. https://www.osti.gov/servlets/purl/1283817. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1283817,
title = {Materials Data on SbSNF6 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {SbNSF6 crystallizes in the orthorhombic Pbca space group. The structure is one-dimensional and consists of four SbNSF6 ribbons oriented in the (0, 1, 0) direction. Sb3+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of Sb–F bond distances ranging from 1.91–1.93 Å. N5+ is bonded in a single-bond geometry to one S2- atom. The N–S bond length is 1.43 Å. S2- is bonded in a 1-coordinate geometry to one N5+ and two F1- atoms. There are one shorter (2.56 Å) and one longer (2.58 Å) S–F bond lengths. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to one Sb3+ and one S2- atom. In the second F1- site, F1- is bonded in a distorted single-bond geometry to one Sb3+ and one S2- atom. In the third F1- site, F1- is bonded in a distorted single-bond geometry to one Sb3+ atom. In the fourth F1- site, F1- is bonded in a distorted single-bond geometry to one Sb3+ atom. In the fifth F1- site, F1- is bonded in a single-bond geometry to one Sb3+ atom. In the sixth F1- site, F1- is bonded in a distorted single-bond geometry to one Sb3+ atom.},
doi = {10.17188/1283817},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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