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Title: Materials Data on SbH8N2F5 by Materials Project

Abstract

(NH4)2SbF5 crystallizes in the monoclinic P2_1/m space group. The structure is one-dimensional and consists of two ammonium molecules and two SbNH4F5 ribbons oriented in the (0, 1, 0) direction. In each SbNH4F5 ribbon, Sb3+ is bonded in a distorted square pyramidal geometry to five F1- atoms. There are a spread of Sb–F bond distances ranging from 1.98–2.15 Å. N3- is bonded in a tetrahedral geometry to four H1+ atoms. There are a spread of N–H bond distances ranging from 1.02–1.05 Å. There are three inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one N3- and one F1- atom. The H–F bond length is 1.61 Å. In the third H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Sb3+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Sb3+ atom. In the third F1- site, F1- is bonded in a bent 150 degrees geometry to one Sb3+more » and one H1+ atom.« less

Publication Date:
Other Number(s):
mp-1219526
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; SbH8N2F5; F-H-N-Sb
OSTI Identifier:
1725118
DOI:
https://doi.org/10.17188/1725118

Citation Formats

The Materials Project. Materials Data on SbH8N2F5 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1725118.
The Materials Project. Materials Data on SbH8N2F5 by Materials Project. United States. doi:https://doi.org/10.17188/1725118
The Materials Project. 2019. "Materials Data on SbH8N2F5 by Materials Project". United States. doi:https://doi.org/10.17188/1725118. https://www.osti.gov/servlets/purl/1725118. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1725118,
title = {Materials Data on SbH8N2F5 by Materials Project},
author = {The Materials Project},
abstractNote = {(NH4)2SbF5 crystallizes in the monoclinic P2_1/m space group. The structure is one-dimensional and consists of two ammonium molecules and two SbNH4F5 ribbons oriented in the (0, 1, 0) direction. In each SbNH4F5 ribbon, Sb3+ is bonded in a distorted square pyramidal geometry to five F1- atoms. There are a spread of Sb–F bond distances ranging from 1.98–2.15 Å. N3- is bonded in a tetrahedral geometry to four H1+ atoms. There are a spread of N–H bond distances ranging from 1.02–1.05 Å. There are three inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one N3- and one F1- atom. The H–F bond length is 1.61 Å. In the third H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Sb3+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Sb3+ atom. In the third F1- site, F1- is bonded in a bent 150 degrees geometry to one Sb3+ and one H1+ atom.},
doi = {10.17188/1725118},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}