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Title: Materials Data on SnH2C4O3 by Materials Project

Abstract

SnC4H2O3 crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of two SnC4H2O3 ribbons oriented in the (0, 1, 0) direction. Sn4+ is bonded in a trigonal bipyramidal geometry to three C and two O2- atoms. There are a spread of Sn–C bond distances ranging from 2.20–2.22 Å. There are one shorter (2.25 Å) and one longer (2.31 Å) Sn–O bond lengths. There are four inequivalent C sites. In the first C site, C is bonded in a distorted bent 120 degrees geometry to two O2- atoms. There is one shorter (1.25 Å) and one longer (1.28 Å) C–O bond length. In the second C site, C is bonded in a single-bond geometry to one Sn4+ atom. In the third C site, C is bonded in a single-bond geometry to one Sn4+ atom. In the fourth C site, C is bonded in a single-bond geometry to one Sn4+ atom. There are two 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 0.98 Å. In the second H1+ site, H1+ is bonded in a distorted single-bond geometry to two O2- atoms. Theremore » is one shorter (1.00 Å) and one longer (1.67 Å) H–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one C and one H1+ atom. 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 bent 120 degrees geometry to one Sn4+ and one C atom.« less

Publication Date:
Other Number(s):
mp-698310
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; SnH2C4O3; C-H-O-Sn
OSTI Identifier:
1281922
DOI:
10.17188/1281922

Citation Formats

The Materials Project. Materials Data on SnH2C4O3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1281922.
The Materials Project. Materials Data on SnH2C4O3 by Materials Project. United States. doi:10.17188/1281922.
The Materials Project. 2020. "Materials Data on SnH2C4O3 by Materials Project". United States. doi:10.17188/1281922. https://www.osti.gov/servlets/purl/1281922. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1281922,
title = {Materials Data on SnH2C4O3 by Materials Project},
author = {The Materials Project},
abstractNote = {SnC4H2O3 crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of two SnC4H2O3 ribbons oriented in the (0, 1, 0) direction. Sn4+ is bonded in a trigonal bipyramidal geometry to three C and two O2- atoms. There are a spread of Sn–C bond distances ranging from 2.20–2.22 Å. There are one shorter (2.25 Å) and one longer (2.31 Å) Sn–O bond lengths. There are four inequivalent C sites. In the first C site, C is bonded in a distorted bent 120 degrees geometry to two O2- atoms. There is one shorter (1.25 Å) and one longer (1.28 Å) C–O bond length. In the second C site, C is bonded in a single-bond geometry to one Sn4+ atom. In the third C site, C is bonded in a single-bond geometry to one Sn4+ atom. In the fourth C site, C is bonded in a single-bond geometry to one Sn4+ atom. There are two 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 0.98 Å. In the second H1+ site, H1+ is bonded in a distorted single-bond geometry to two O2- atoms. There is one shorter (1.00 Å) and one longer (1.67 Å) H–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one C and one H1+ atom. 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 bent 120 degrees geometry to one Sn4+ and one C atom.},
doi = {10.17188/1281922},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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