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Title: Materials Data on GeS2 by Materials Project

Abstract

GeS2 crystallizes in the monoclinic Pc space group. The structure is three-dimensional. there are six inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded to four S2- atoms to form corner-sharing GeS4 tetrahedra. There are one shorter (2.24 Å) and three longer (2.25 Å) Ge–S bond lengths. In the second Ge4+ site, Ge4+ is bonded to four S2- atoms to form corner-sharing GeS4 tetrahedra. All Ge–S bond lengths are 2.25 Å. In the third Ge4+ site, Ge4+ is bonded to four S2- atoms to form corner-sharing GeS4 tetrahedra. All Ge–S bond lengths are 2.25 Å. In the fourth Ge4+ site, Ge4+ is bonded to four S2- atoms to form corner-sharing GeS4 tetrahedra. There are one shorter (2.24 Å) and three longer (2.25 Å) Ge–S bond lengths. In the fifth Ge4+ site, Ge4+ is bonded to four S2- atoms to form corner-sharing GeS4 tetrahedra. There are one shorter (2.24 Å) and three longer (2.25 Å) Ge–S bond lengths. In the sixth Ge4+ site, Ge4+ is bonded to four S2- atoms to form corner-sharing GeS4 tetrahedra. There are one shorter (2.24 Å) and three longer (2.25 Å) Ge–S bond lengths. There are twelve inequivalent S2- sites. In the first S2-more » site, S2- is bonded in a water-like geometry to two Ge4+ atoms. In the second S2- site, S2- is bonded in a water-like geometry to two Ge4+ atoms. In the third S2- site, S2- is bonded in a water-like geometry to two Ge4+ atoms. In the fourth S2- site, S2- is bonded in a water-like geometry to two Ge4+ atoms. In the fifth S2- site, S2- is bonded in a water-like geometry to two Ge4+ atoms. In the sixth S2- site, S2- is bonded in a water-like geometry to two equivalent Ge4+ atoms. In the seventh S2- site, S2- is bonded in a water-like geometry to two Ge4+ atoms. In the eighth S2- site, S2- is bonded in a water-like geometry to two Ge4+ atoms. In the ninth S2- site, S2- is bonded in a water-like geometry to two Ge4+ atoms. In the tenth S2- site, S2- is bonded in a water-like geometry to two Ge4+ atoms. In the eleventh S2- site, S2- is bonded in a water-like geometry to two Ge4+ atoms. In the twelfth S2- site, S2- is bonded in a water-like geometry to two equivalent Ge4+ atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-542613
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; GeS2; Ge-S
OSTI Identifier:
1266599
DOI:
https://doi.org/10.17188/1266599

Citation Formats

The Materials Project. Materials Data on GeS2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1266599.
The Materials Project. Materials Data on GeS2 by Materials Project. United States. doi:https://doi.org/10.17188/1266599
The Materials Project. 2020. "Materials Data on GeS2 by Materials Project". United States. doi:https://doi.org/10.17188/1266599. https://www.osti.gov/servlets/purl/1266599. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1266599,
title = {Materials Data on GeS2 by Materials Project},
author = {The Materials Project},
abstractNote = {GeS2 crystallizes in the monoclinic Pc space group. The structure is three-dimensional. there are six inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded to four S2- atoms to form corner-sharing GeS4 tetrahedra. There are one shorter (2.24 Å) and three longer (2.25 Å) Ge–S bond lengths. In the second Ge4+ site, Ge4+ is bonded to four S2- atoms to form corner-sharing GeS4 tetrahedra. All Ge–S bond lengths are 2.25 Å. In the third Ge4+ site, Ge4+ is bonded to four S2- atoms to form corner-sharing GeS4 tetrahedra. All Ge–S bond lengths are 2.25 Å. In the fourth Ge4+ site, Ge4+ is bonded to four S2- atoms to form corner-sharing GeS4 tetrahedra. There are one shorter (2.24 Å) and three longer (2.25 Å) Ge–S bond lengths. In the fifth Ge4+ site, Ge4+ is bonded to four S2- atoms to form corner-sharing GeS4 tetrahedra. There are one shorter (2.24 Å) and three longer (2.25 Å) Ge–S bond lengths. In the sixth Ge4+ site, Ge4+ is bonded to four S2- atoms to form corner-sharing GeS4 tetrahedra. There are one shorter (2.24 Å) and three longer (2.25 Å) Ge–S bond lengths. There are twelve inequivalent S2- sites. In the first S2- site, S2- is bonded in a water-like geometry to two Ge4+ atoms. In the second S2- site, S2- is bonded in a water-like geometry to two Ge4+ atoms. In the third S2- site, S2- is bonded in a water-like geometry to two Ge4+ atoms. In the fourth S2- site, S2- is bonded in a water-like geometry to two Ge4+ atoms. In the fifth S2- site, S2- is bonded in a water-like geometry to two Ge4+ atoms. In the sixth S2- site, S2- is bonded in a water-like geometry to two equivalent Ge4+ atoms. In the seventh S2- site, S2- is bonded in a water-like geometry to two Ge4+ atoms. In the eighth S2- site, S2- is bonded in a water-like geometry to two Ge4+ atoms. In the ninth S2- site, S2- is bonded in a water-like geometry to two Ge4+ atoms. In the tenth S2- site, S2- is bonded in a water-like geometry to two Ge4+ atoms. In the eleventh S2- site, S2- is bonded in a water-like geometry to two Ge4+ atoms. In the twelfth S2- site, S2- is bonded in a water-like geometry to two equivalent Ge4+ atoms.},
doi = {10.17188/1266599},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}