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Title: Materials Data on SiH6(NF2)2 by Materials Project

Abstract

Si(NH3)2F4 is alpha Po structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two Si(NH3)2F4 clusters. Si4+ is bonded in an octahedral geometry to two equivalent N3- and four F1- atoms. Both Si–N bond lengths are 1.92 Å. There is two shorter (1.70 Å) and two longer (1.72 Å) Si–F bond length. N3- is bonded in a distorted trigonal non-coplanar geometry to one Si4+ and three H1+ atoms. All N–H bond lengths are 1.03 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- atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Si4+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Si4+ atom.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-643277
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; SiH6(NF2)2; F-H-N-Si
OSTI Identifier:
1280287
DOI:
10.17188/1280287

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on SiH6(NF2)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1280287.
Persson, Kristin, & Project, Materials. Materials Data on SiH6(NF2)2 by Materials Project. United States. doi:10.17188/1280287.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on SiH6(NF2)2 by Materials Project". United States. doi:10.17188/1280287. https://www.osti.gov/servlets/purl/1280287. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1280287,
title = {Materials Data on SiH6(NF2)2 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Si(NH3)2F4 is alpha Po structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two Si(NH3)2F4 clusters. Si4+ is bonded in an octahedral geometry to two equivalent N3- and four F1- atoms. Both Si–N bond lengths are 1.92 Å. There is two shorter (1.70 Å) and two longer (1.72 Å) Si–F bond length. N3- is bonded in a distorted trigonal non-coplanar geometry to one Si4+ and three H1+ atoms. All N–H bond lengths are 1.03 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- atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Si4+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Si4+ atom.},
doi = {10.17188/1280287},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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