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Title: Materials Data on Ge2S5 by Materials Project

Abstract

Ge2S5 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two 2,4,6,8,9,10-hexathia-1,3,5,7-tetragermaadamantane-1,3,5,7-tetrakisthiolanion molecules. there are four inequivalent Ge3+ sites. In the first Ge3+ site, Ge3+ is bonded to four S+1.20- atoms to form corner-sharing GeS4 tetrahedra. There are a spread of Ge–S bond distances ranging from 2.20–2.26 Å. In the second Ge3+ site, Ge3+ is bonded to four S+1.20- atoms to form corner-sharing GeS4 tetrahedra. There are a spread of Ge–S bond distances ranging from 2.19–2.26 Å. In the third Ge3+ site, Ge3+ is bonded to four S+1.20- atoms to form corner-sharing GeS4 tetrahedra. There are a spread of Ge–S bond distances ranging from 2.20–2.26 Å. In the fourth Ge3+ site, Ge3+ is bonded to four S+1.20- atoms to form corner-sharing GeS4 tetrahedra. There are a spread of Ge–S bond distances ranging from 2.20–2.27 Å. There are ten inequivalent S+1.20- sites. In the first S+1.20- site, S+1.20- is bonded in a water-like geometry to two Ge3+ atoms. In the second S+1.20- site, S+1.20- is bonded in a water-like geometry to two Ge3+ atoms. In the third S+1.20- site, S+1.20- is bonded in a water-like geometry to two Ge3+ atoms. In the fourth S+1.20- site, S+1.20-more » is bonded in a water-like geometry to two Ge3+ atoms. In the fifth S+1.20- site, S+1.20- is bonded in a water-like geometry to two Ge3+ atoms. In the sixth S+1.20- site, S+1.20- is bonded in a water-like geometry to two Ge3+ atoms. In the seventh S+1.20- site, S+1.20- is bonded in a single-bond geometry to one Ge3+ atom. In the eighth S+1.20- site, S+1.20- is bonded in a single-bond geometry to one Ge3+ atom. In the ninth S+1.20- site, S+1.20- is bonded in a single-bond geometry to one Ge3+ atom. In the tenth S+1.20- site, S+1.20- is bonded in a single-bond geometry to one Ge3+ atom.« less

Publication Date:
Other Number(s):
mp-1193697
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; Ge2S5; Ge-S
OSTI Identifier:
1652542
DOI:
https://doi.org/10.17188/1652542

Citation Formats

The Materials Project. Materials Data on Ge2S5 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1652542.
The Materials Project. Materials Data on Ge2S5 by Materials Project. United States. doi:https://doi.org/10.17188/1652542
The Materials Project. 2019. "Materials Data on Ge2S5 by Materials Project". United States. doi:https://doi.org/10.17188/1652542. https://www.osti.gov/servlets/purl/1652542. Pub date:Fri Jan 11 00:00:00 EST 2019
@article{osti_1652542,
title = {Materials Data on Ge2S5 by Materials Project},
author = {The Materials Project},
abstractNote = {Ge2S5 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two 2,4,6,8,9,10-hexathia-1,3,5,7-tetragermaadamantane-1,3,5,7-tetrakisthiolanion molecules. there are four inequivalent Ge3+ sites. In the first Ge3+ site, Ge3+ is bonded to four S+1.20- atoms to form corner-sharing GeS4 tetrahedra. There are a spread of Ge–S bond distances ranging from 2.20–2.26 Å. In the second Ge3+ site, Ge3+ is bonded to four S+1.20- atoms to form corner-sharing GeS4 tetrahedra. There are a spread of Ge–S bond distances ranging from 2.19–2.26 Å. In the third Ge3+ site, Ge3+ is bonded to four S+1.20- atoms to form corner-sharing GeS4 tetrahedra. There are a spread of Ge–S bond distances ranging from 2.20–2.26 Å. In the fourth Ge3+ site, Ge3+ is bonded to four S+1.20- atoms to form corner-sharing GeS4 tetrahedra. There are a spread of Ge–S bond distances ranging from 2.20–2.27 Å. There are ten inequivalent S+1.20- sites. In the first S+1.20- site, S+1.20- is bonded in a water-like geometry to two Ge3+ atoms. In the second S+1.20- site, S+1.20- is bonded in a water-like geometry to two Ge3+ atoms. In the third S+1.20- site, S+1.20- is bonded in a water-like geometry to two Ge3+ atoms. In the fourth S+1.20- site, S+1.20- is bonded in a water-like geometry to two Ge3+ atoms. In the fifth S+1.20- site, S+1.20- is bonded in a water-like geometry to two Ge3+ atoms. In the sixth S+1.20- site, S+1.20- is bonded in a water-like geometry to two Ge3+ atoms. In the seventh S+1.20- site, S+1.20- is bonded in a single-bond geometry to one Ge3+ atom. In the eighth S+1.20- site, S+1.20- is bonded in a single-bond geometry to one Ge3+ atom. In the ninth S+1.20- site, S+1.20- is bonded in a single-bond geometry to one Ge3+ atom. In the tenth S+1.20- site, S+1.20- is bonded in a single-bond geometry to one Ge3+ atom.},
doi = {10.17188/1652542},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}