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Title: Materials Data on SnH7C2SeClO3 by Materials Project

Abstract

SnC2H7SeO3Cl crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of one SnC2H7SeO3Cl ribbon oriented in the (1, 0, 0) direction. Sn2+ is bonded in a 6-coordinate geometry to two C, three O2-, and one Cl1- atom. There are one shorter (2.12 Å) and one longer (2.13 Å) Sn–C bond lengths. There are a spread of Sn–O bond distances ranging from 2.24–2.71 Å. The Sn–Cl bond length is 2.53 Å. There are two inequivalent C sites. In the first C site, C is bonded in a distorted trigonal non-coplanar geometry to one Sn2+ and three H1+ atoms. There is two shorter (1.09 Å) and one longer (1.10 Å) C–H bond length. In the second C site, C is bonded in a distorted trigonal non-coplanar geometry to one Sn2+ and three H1+ atoms. There is two shorter (1.09 Å) and one longer (1.10 Å) C–H bond length. There are six inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one C atom. In the third H1+ site,more » H1+ is bonded in a single-bond geometry to one C atom. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one C atom. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one C atom. In the sixth H1+ site, H1+ is bonded in a single-bond geometry to one C atom. Se2- is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. There are a spread of Se–O bond distances ranging from 1.68–1.82 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Sn2+ and one Se2- atom. In the second O2- site, O2- is bonded in a distorted water-like geometry to one H1+ and one Se2- atom. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to one Sn2+ and one Se2- atom. Cl1- is bonded in a single-bond geometry to one Sn2+ atom.« less

Authors:
Publication Date:
Other Number(s):
mp-1192921
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; SnH7C2SeClO3; C-Cl-H-O-Se-Sn
OSTI Identifier:
1681282
DOI:
https://doi.org/10.17188/1681282

Citation Formats

The Materials Project. Materials Data on SnH7C2SeClO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1681282.
The Materials Project. Materials Data on SnH7C2SeClO3 by Materials Project. United States. doi:https://doi.org/10.17188/1681282
The Materials Project. 2020. "Materials Data on SnH7C2SeClO3 by Materials Project". United States. doi:https://doi.org/10.17188/1681282. https://www.osti.gov/servlets/purl/1681282. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1681282,
title = {Materials Data on SnH7C2SeClO3 by Materials Project},
author = {The Materials Project},
abstractNote = {SnC2H7SeO3Cl crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of one SnC2H7SeO3Cl ribbon oriented in the (1, 0, 0) direction. Sn2+ is bonded in a 6-coordinate geometry to two C, three O2-, and one Cl1- atom. There are one shorter (2.12 Å) and one longer (2.13 Å) Sn–C bond lengths. There are a spread of Sn–O bond distances ranging from 2.24–2.71 Å. The Sn–Cl bond length is 2.53 Å. There are two inequivalent C sites. In the first C site, C is bonded in a distorted trigonal non-coplanar geometry to one Sn2+ and three H1+ atoms. There is two shorter (1.09 Å) and one longer (1.10 Å) C–H bond length. In the second C site, C is bonded in a distorted trigonal non-coplanar geometry to one Sn2+ and three H1+ atoms. There is two shorter (1.09 Å) and one longer (1.10 Å) C–H bond length. There are six inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one C atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one C atom. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one C atom. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one C atom. In the sixth H1+ site, H1+ is bonded in a single-bond geometry to one C atom. Se2- is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. There are a spread of Se–O bond distances ranging from 1.68–1.82 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Sn2+ and one Se2- atom. In the second O2- site, O2- is bonded in a distorted water-like geometry to one H1+ and one Se2- atom. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to one Sn2+ and one Se2- atom. Cl1- is bonded in a single-bond geometry to one Sn2+ atom.},
doi = {10.17188/1681282},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}