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Title: Materials Data on SnHC2O3 by Materials Project

Abstract

SnC2HO3 crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of one SnC2HO3 sheet oriented in the (2, 0, -1) direction. there are two inequivalent Sn4+ sites. In the first Sn4+ site, Sn4+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Sn–O bond distances ranging from 2.10–2.47 Å. In the second Sn4+ site, Sn4+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There are two shorter (2.15 Å) and two longer (2.58 Å) Sn–O bond lengths. There are two inequivalent C+0.50+ sites. In the first C+0.50+ site, C+0.50+ is bonded in a single-bond geometry to one O2- atom. The C–O bond length is 1.26 Å. In the second C+0.50+ site, C+0.50+ is bonded in a single-bond geometry to one O2- atom. The C–O bond length is 1.26 Å. H1+ is bonded in a single-bond geometry to two O2- atoms. There is one shorter (1.00 Å) and one longer (1.69 Å) H–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one Sn4+ and one C+0.50+ atom. In the second O2- site,more » O2- is bonded in a distorted single-bond geometry to one Sn4+, one C+0.50+, and one H1+ atom. In the third O2- site, O2- is bonded in a distorted water-like geometry to one Sn4+ and two equivalent H1+ atoms. In the fourth O2- site, O2- is bonded in a trigonal planar geometry to three Sn4+ atoms.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-697873
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; SnHC2O3; C-H-O-Sn
OSTI Identifier:
1285248
DOI:
10.17188/1285248

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on SnHC2O3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1285248.
Persson, Kristin, & Project, Materials. Materials Data on SnHC2O3 by Materials Project. United States. doi:10.17188/1285248.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on SnHC2O3 by Materials Project". United States. doi:10.17188/1285248. https://www.osti.gov/servlets/purl/1285248. Pub date:Fri Jul 24 00:00:00 EDT 2020
@article{osti_1285248,
title = {Materials Data on SnHC2O3 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {SnC2HO3 crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of one SnC2HO3 sheet oriented in the (2, 0, -1) direction. there are two inequivalent Sn4+ sites. In the first Sn4+ site, Sn4+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Sn–O bond distances ranging from 2.10–2.47 Å. In the second Sn4+ site, Sn4+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There are two shorter (2.15 Å) and two longer (2.58 Å) Sn–O bond lengths. There are two inequivalent C+0.50+ sites. In the first C+0.50+ site, C+0.50+ is bonded in a single-bond geometry to one O2- atom. The C–O bond length is 1.26 Å. In the second C+0.50+ site, C+0.50+ is bonded in a single-bond geometry to one O2- atom. The C–O bond length is 1.26 Å. H1+ is bonded in a single-bond geometry to two O2- atoms. There is one shorter (1.00 Å) and one longer (1.69 Å) H–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one Sn4+ and one C+0.50+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Sn4+, one C+0.50+, and one H1+ atom. In the third O2- site, O2- is bonded in a distorted water-like geometry to one Sn4+ and two equivalent H1+ atoms. In the fourth O2- site, O2- is bonded in a trigonal planar geometry to three Sn4+ atoms.},
doi = {10.17188/1285248},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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