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Title: Materials Data on CdGe4C8(S5N)2 by Materials Project

Abstract

Cd(Ge2S5)2(C4N)2 crystallizes in the tetragonal I-4 space group. The structure is three-dimensional and consists of four tetramethylammonium molecules and one Cd(Ge2S5)2 framework. In the Cd(Ge2S5)2 framework, Cd2+ is bonded to four equivalent S2- atoms to form CdS4 tetrahedra that share corners with four equivalent GeS4 tetrahedra. All Cd–S bond lengths are 2.62 Å. Ge4+ is bonded to four S2- atoms to form GeS4 tetrahedra that share a cornercorner with one CdS4 tetrahedra and corners with three equivalent GeS4 tetrahedra. There are a spread of Ge–S bond distances ranging from 2.21–2.27 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a water-like geometry to two equivalent Ge4+ atoms. In the second S2- site, S2- is bonded in a water-like geometry to two equivalent Ge4+ atoms. In the third S2- site, S2- is bonded in a water-like geometry to one Cd2+ and one Ge4+ atom.

Authors:
Publication Date:
Other Number(s):
mp-1192195
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; CdGe4C8(S5N)2; C-Cd-Ge-N-S
OSTI Identifier:
1711491
DOI:
https://doi.org/10.17188/1711491

Citation Formats

The Materials Project. Materials Data on CdGe4C8(S5N)2 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1711491.
The Materials Project. Materials Data on CdGe4C8(S5N)2 by Materials Project. United States. doi:https://doi.org/10.17188/1711491
The Materials Project. 2019. "Materials Data on CdGe4C8(S5N)2 by Materials Project". United States. doi:https://doi.org/10.17188/1711491. https://www.osti.gov/servlets/purl/1711491. Pub date:Fri Jan 11 00:00:00 EST 2019
@article{osti_1711491,
title = {Materials Data on CdGe4C8(S5N)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Cd(Ge2S5)2(C4N)2 crystallizes in the tetragonal I-4 space group. The structure is three-dimensional and consists of four tetramethylammonium molecules and one Cd(Ge2S5)2 framework. In the Cd(Ge2S5)2 framework, Cd2+ is bonded to four equivalent S2- atoms to form CdS4 tetrahedra that share corners with four equivalent GeS4 tetrahedra. All Cd–S bond lengths are 2.62 Å. Ge4+ is bonded to four S2- atoms to form GeS4 tetrahedra that share a cornercorner with one CdS4 tetrahedra and corners with three equivalent GeS4 tetrahedra. There are a spread of Ge–S bond distances ranging from 2.21–2.27 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a water-like geometry to two equivalent Ge4+ atoms. In the second S2- site, S2- is bonded in a water-like geometry to two equivalent Ge4+ atoms. In the third S2- site, S2- is bonded in a water-like geometry to one Cd2+ and one Ge4+ atom.},
doi = {10.17188/1711491},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}