skip to main content
DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on SnH6Cl4O3 by Materials Project

Abstract

SnH6O3Cl4 crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of two SnH6O3Cl4 ribbons oriented in the (0, 0, 1) direction. Sn4+ is bonded in an octahedral geometry to two O2- and four Cl1- atoms. There are one shorter (2.21 Å) and one longer (2.22 Å) Sn–O bond lengths. There are a spread of Sn–Cl bond distances ranging from 2.38–2.46 Å. 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 distorted linear geometry to two O2- atoms. There is one shorter (1.01 Å) and one longer (1.67 Å) H–O bond length. In the third H1+ site, H1+ is bonded in a distorted linear geometry to two O2- atoms. There is one shorter (1.01 Å) and one longer (1.67 Å) H–O bond length. In the fourth 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 fifth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length ismore » 0.98 Å. In the sixth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted water-like geometry to one Sn4+ and two H1+ atoms. In the second O2- site, O2- is bonded in a distorted water-like geometry to one Sn4+ and two H1+ atoms. In the third O2- site, O2- is bonded in a distorted water-like geometry to four H1+ atoms. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Sn4+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Sn4+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Sn4+ atom. In the fourth Cl1- site, Cl1- is bonded in a single-bond geometry to one Sn4+ atom.« less

Publication Date:
Other Number(s):
mp-705479
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; SnH6Cl4O3; Cl-H-O-Sn
OSTI Identifier:
1285952
DOI:
10.17188/1285952

Citation Formats

The Materials Project. Materials Data on SnH6Cl4O3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1285952.
The Materials Project. Materials Data on SnH6Cl4O3 by Materials Project. United States. doi:10.17188/1285952.
The Materials Project. 2020. "Materials Data on SnH6Cl4O3 by Materials Project". United States. doi:10.17188/1285952. https://www.osti.gov/servlets/purl/1285952. Pub date:Fri May 01 00:00:00 EDT 2020
@article{osti_1285952,
title = {Materials Data on SnH6Cl4O3 by Materials Project},
author = {The Materials Project},
abstractNote = {SnH6O3Cl4 crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of two SnH6O3Cl4 ribbons oriented in the (0, 0, 1) direction. Sn4+ is bonded in an octahedral geometry to two O2- and four Cl1- atoms. There are one shorter (2.21 Å) and one longer (2.22 Å) Sn–O bond lengths. There are a spread of Sn–Cl bond distances ranging from 2.38–2.46 Å. 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 distorted linear geometry to two O2- atoms. There is one shorter (1.01 Å) and one longer (1.67 Å) H–O bond length. In the third H1+ site, H1+ is bonded in a distorted linear geometry to two O2- atoms. There is one shorter (1.01 Å) and one longer (1.67 Å) H–O bond length. In the fourth 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 fifth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the sixth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted water-like geometry to one Sn4+ and two H1+ atoms. In the second O2- site, O2- is bonded in a distorted water-like geometry to one Sn4+ and two H1+ atoms. In the third O2- site, O2- is bonded in a distorted water-like geometry to four H1+ atoms. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Sn4+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Sn4+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Sn4+ atom. In the fourth Cl1- site, Cl1- is bonded in a single-bond geometry to one Sn4+ atom.},
doi = {10.17188/1285952},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

Dataset:

Save / Share: