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Title: Materials Data on SnSe2(Cl4O)2 by Materials Project

Abstract

SnSe2(OCl4)2 crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of four SnSe2(OCl4)2 clusters. Sn4+ is bonded in an octahedral geometry to two equivalent O2- and four Cl1- atoms. Both Sn–O bond lengths are 2.24 Å. There are two shorter (2.39 Å) and two longer (2.44 Å) Sn–Cl bond lengths. Se4+ is bonded in a 1-coordinate geometry to one O2- and two Cl1- atoms. The Se–O bond length is 1.69 Å. Both Se–Cl bond lengths are 2.20 Å. O2- is bonded in a bent 120 degrees geometry to one Sn4+ and one Se4+ atom. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Se4+ atom. In the second Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Sn4+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Se4+ atom. In the fourth Cl1- site, Cl1- is bonded in a single-bond geometry to one Sn4+ atom.

Publication Date:
Other Number(s):
mp-560193
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; SnSe2(Cl4O)2; Cl-O-Se-Sn
OSTI Identifier:
1271329
DOI:
https://doi.org/10.17188/1271329

Citation Formats

The Materials Project. Materials Data on SnSe2(Cl4O)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1271329.
The Materials Project. Materials Data on SnSe2(Cl4O)2 by Materials Project. United States. doi:https://doi.org/10.17188/1271329
The Materials Project. 2020. "Materials Data on SnSe2(Cl4O)2 by Materials Project". United States. doi:https://doi.org/10.17188/1271329. https://www.osti.gov/servlets/purl/1271329. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1271329,
title = {Materials Data on SnSe2(Cl4O)2 by Materials Project},
author = {The Materials Project},
abstractNote = {SnSe2(OCl4)2 crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of four SnSe2(OCl4)2 clusters. Sn4+ is bonded in an octahedral geometry to two equivalent O2- and four Cl1- atoms. Both Sn–O bond lengths are 2.24 Å. There are two shorter (2.39 Å) and two longer (2.44 Å) Sn–Cl bond lengths. Se4+ is bonded in a 1-coordinate geometry to one O2- and two Cl1- atoms. The Se–O bond length is 1.69 Å. Both Se–Cl bond lengths are 2.20 Å. O2- is bonded in a bent 120 degrees geometry to one Sn4+ and one Se4+ atom. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Se4+ atom. In the second Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Sn4+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Se4+ atom. In the fourth Cl1- site, Cl1- is bonded in a single-bond geometry to one Sn4+ atom.},
doi = {10.17188/1271329},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}