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Title: Materials Data on SnH4(NF)2 by Materials Project

Abstract

SnH4(NF)2 crystallizes in the monoclinic C2/m space group. The structure is one-dimensional and consists of two SnH4(NF)2 ribbons oriented in the (0, 1, 0) direction. Sn4+ is bonded to four equivalent N3- and two equivalent F1- atoms to form edge-sharing SnN4F2 octahedra. All Sn–N bond lengths are 2.18 Å. Both Sn–F bond lengths are 2.05 Å. N3- is bonded in a distorted water-like geometry to two equivalent Sn4+ and two H1+ atoms. There is one shorter (1.02 Å) and one longer (1.03 Å) N–H bond length. There are two 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. F1- is bonded in a single-bond geometry to one Sn4+ atom.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-643902
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; SnH4(NF)2; F-H-N-Sn
OSTI Identifier:
1280376
DOI:
10.17188/1280376

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on SnH4(NF)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1280376.
Persson, Kristin, & Project, Materials. Materials Data on SnH4(NF)2 by Materials Project. United States. doi:10.17188/1280376.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on SnH4(NF)2 by Materials Project". United States. doi:10.17188/1280376. https://www.osti.gov/servlets/purl/1280376. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1280376,
title = {Materials Data on SnH4(NF)2 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {SnH4(NF)2 crystallizes in the monoclinic C2/m space group. The structure is one-dimensional and consists of two SnH4(NF)2 ribbons oriented in the (0, 1, 0) direction. Sn4+ is bonded to four equivalent N3- and two equivalent F1- atoms to form edge-sharing SnN4F2 octahedra. All Sn–N bond lengths are 2.18 Å. Both Sn–F bond lengths are 2.05 Å. N3- is bonded in a distorted water-like geometry to two equivalent Sn4+ and two H1+ atoms. There is one shorter (1.02 Å) and one longer (1.03 Å) N–H bond length. There are two 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. F1- is bonded in a single-bond geometry to one Sn4+ atom.},
doi = {10.17188/1280376},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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