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Title: Materials Data on SnH46C18(Br2N)2 by Materials Project

Abstract

(C8NH20)2SnH6(CBr2)2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four tetraethylammonium molecules and two SnH6(CBr2)2 clusters. In each SnH6(CBr2)2 cluster, Sn4+ is bonded in an octahedral geometry to two equivalent C+2.22- and four Br1- atoms. Both Sn–C bond lengths are 2.15 Å. All Sn–Br bond lengths are 2.83 Å. C+2.22- is bonded in a distorted trigonal non-coplanar geometry to one Sn4+ and three H1+ atoms. All C–H bond lengths are 1.09 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one C+2.22- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one C+2.22- atom. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a single-bond geometry to one Sn4+ atom. In the second Br1- site, Br1- is bonded in a single-bond geometry to one Sn4+ atom.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-570929
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; SnH46C18(Br2N)2; Br-C-H-N-Sn
OSTI Identifier:
1268340
DOI:
10.17188/1268340

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on SnH46C18(Br2N)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1268340.
Persson, Kristin, & Project, Materials. Materials Data on SnH46C18(Br2N)2 by Materials Project. United States. doi:10.17188/1268340.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on SnH46C18(Br2N)2 by Materials Project". United States. doi:10.17188/1268340. https://www.osti.gov/servlets/purl/1268340. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1268340,
title = {Materials Data on SnH46C18(Br2N)2 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {(C8NH20)2SnH6(CBr2)2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four tetraethylammonium molecules and two SnH6(CBr2)2 clusters. In each SnH6(CBr2)2 cluster, Sn4+ is bonded in an octahedral geometry to two equivalent C+2.22- and four Br1- atoms. Both Sn–C bond lengths are 2.15 Å. All Sn–Br bond lengths are 2.83 Å. C+2.22- is bonded in a distorted trigonal non-coplanar geometry to one Sn4+ and three H1+ atoms. All C–H bond lengths are 1.09 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one C+2.22- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one C+2.22- atom. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a single-bond geometry to one Sn4+ atom. In the second Br1- site, Br1- is bonded in a single-bond geometry to one Sn4+ atom.},
doi = {10.17188/1268340},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

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