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Title: Materials Data on GeH6C2(SO3)2 by Materials Project

Abstract

GeC2H6(SO3)2 crystallizes in the tetragonal P4_12_12 space group. The structure is three-dimensional. Ge4+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There are two shorter (2.00 Å) and two longer (2.40 Å) Ge–O bond lengths. C3+ is bonded in a distorted trigonal non-coplanar geometry to three H1+ and one S2- atom. There is two shorter (1.09 Å) and one longer (1.10 Å) C–H bond length. The C–S bond length is 1.76 Å. There are three inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one C3+ atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one C3+ atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one C3+ atom. S2- is bonded in a distorted trigonal non-coplanar geometry to one C3+ and three O2- atoms. There are a spread of S–O bond distances ranging from 1.45–1.54 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one Ge4+ and one S2- atom. In the second O2- site, O2- is bonded in a single-bond geometry to one S2- atom.more » In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Ge4+ and one S2- atom.« less

Authors:
Publication Date:
Other Number(s):
mp-1194589
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; GeH6C2(SO3)2; C-Ge-H-O-S
OSTI Identifier:
1692427
DOI:
https://doi.org/10.17188/1692427

Citation Formats

The Materials Project. Materials Data on GeH6C2(SO3)2 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1692427.
The Materials Project. Materials Data on GeH6C2(SO3)2 by Materials Project. United States. doi:https://doi.org/10.17188/1692427
The Materials Project. 2019. "Materials Data on GeH6C2(SO3)2 by Materials Project". United States. doi:https://doi.org/10.17188/1692427. https://www.osti.gov/servlets/purl/1692427. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1692427,
title = {Materials Data on GeH6C2(SO3)2 by Materials Project},
author = {The Materials Project},
abstractNote = {GeC2H6(SO3)2 crystallizes in the tetragonal P4_12_12 space group. The structure is three-dimensional. Ge4+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There are two shorter (2.00 Å) and two longer (2.40 Å) Ge–O bond lengths. C3+ is bonded in a distorted trigonal non-coplanar geometry to three H1+ and one S2- atom. There is two shorter (1.09 Å) and one longer (1.10 Å) C–H bond length. The C–S bond length is 1.76 Å. There are three inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one C3+ atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one C3+ atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one C3+ atom. S2- is bonded in a distorted trigonal non-coplanar geometry to one C3+ and three O2- atoms. There are a spread of S–O bond distances ranging from 1.45–1.54 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one Ge4+ and one S2- atom. In the second O2- site, O2- is bonded in a single-bond geometry to one S2- atom. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Ge4+ and one S2- atom.},
doi = {10.17188/1692427},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}