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Title: Materials Data on SnCl3O4 by Materials Project

Abstract

(SnOCl3)2(O2)3 is Cyanogen Chloride-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four trioxidane molecules and two SnOCl3 clusters. In each SnOCl3 cluster, Sn is bonded to two equivalent O and three Cl atoms to form distorted edge-sharing SnCl3O2 trigonal bipyramids. There are one shorter (2.11 Å) and one longer (2.14 Å) Sn–O bond lengths. There are a spread of Sn–Cl bond distances ranging from 2.33–2.37 Å. O is bonded in a bent 120 degrees geometry to two equivalent Sn atoms. There are three inequivalent Cl sites. In the first Cl site, Cl is bonded in a single-bond geometry to one Sn atom. In the second Cl site, Cl is bonded in a single-bond geometry to one Sn atom. In the third Cl site, Cl is bonded in a single-bond geometry to one Sn atom.

Publication Date:
Other Number(s):
mp-1179400
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; SnCl3O4; Cl-O-Sn
OSTI Identifier:
1685512
DOI:
https://doi.org/10.17188/1685512

Citation Formats

The Materials Project. Materials Data on SnCl3O4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1685512.
The Materials Project. Materials Data on SnCl3O4 by Materials Project. United States. doi:https://doi.org/10.17188/1685512
The Materials Project. 2020. "Materials Data on SnCl3O4 by Materials Project". United States. doi:https://doi.org/10.17188/1685512. https://www.osti.gov/servlets/purl/1685512. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1685512,
title = {Materials Data on SnCl3O4 by Materials Project},
author = {The Materials Project},
abstractNote = {(SnOCl3)2(O2)3 is Cyanogen Chloride-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four trioxidane molecules and two SnOCl3 clusters. In each SnOCl3 cluster, Sn is bonded to two equivalent O and three Cl atoms to form distorted edge-sharing SnCl3O2 trigonal bipyramids. There are one shorter (2.11 Å) and one longer (2.14 Å) Sn–O bond lengths. There are a spread of Sn–Cl bond distances ranging from 2.33–2.37 Å. O is bonded in a bent 120 degrees geometry to two equivalent Sn atoms. There are three inequivalent Cl sites. In the first Cl site, Cl is bonded in a single-bond geometry to one Sn atom. In the second Cl site, Cl is bonded in a single-bond geometry to one Sn atom. In the third Cl site, Cl is bonded in a single-bond geometry to one Sn atom.},
doi = {10.17188/1685512},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}