U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on GeS2 by Materials Project
Abstract
GeS2 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of two GeS2 sheets oriented in the (0, 0, 1) direction. there are four inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded to four S2- atoms to form a mixture of edge and corner-sharing GeS4 tetrahedra. There are two shorter (2.25 Å) and two longer (2.26 Å) Ge–S bond lengths. In the second Ge4+ site, Ge4+ is bonded to four S2- atoms to form a mixture of edge and corner-sharing GeS4 tetrahedra. There are two shorter (2.25 Å) and two longer (2.26 Å) Ge–S bond lengths. In the third Ge4+ site, Ge4+ is bonded to four S2- atoms to form corner-sharing GeS4 tetrahedra. There are two shorter (2.24 Å) and two longer (2.25 Å) Ge–S bond lengths. In the fourth Ge4+ site, Ge4+ is bonded to four S2- atoms to form corner-sharing GeS4 tetrahedra. There are three shorter (2.24 Å) and one longer (2.26 Å) Ge–S bond lengths. There are eight 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 tomore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-572892
- 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:
- 1276442
- DOI:
- https://doi.org/10.17188/1276442
Citation Formats
The Materials Project. Materials Data on GeS2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1276442.
The Materials Project. Materials Data on GeS2 by Materials Project. United States. doi:https://doi.org/10.17188/1276442
The Materials Project. 2020.
"Materials Data on GeS2 by Materials Project". United States. doi:https://doi.org/10.17188/1276442. https://www.osti.gov/servlets/purl/1276442. Pub date:Fri May 01 00:00:00 EDT 2020
@article{osti_1276442,
title = {Materials Data on GeS2 by Materials Project},
author = {The Materials Project},
abstractNote = {GeS2 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of two GeS2 sheets oriented in the (0, 0, 1) direction. there are four inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded to four S2- atoms to form a mixture of edge and corner-sharing GeS4 tetrahedra. There are two shorter (2.25 Å) and two longer (2.26 Å) Ge–S bond lengths. In the second Ge4+ site, Ge4+ is bonded to four S2- atoms to form a mixture of edge and corner-sharing GeS4 tetrahedra. There are two shorter (2.25 Å) and two longer (2.26 Å) Ge–S bond lengths. In the third Ge4+ site, Ge4+ is bonded to four S2- atoms to form corner-sharing GeS4 tetrahedra. There are two shorter (2.24 Å) and two longer (2.25 Å) Ge–S bond lengths. In the fourth Ge4+ site, Ge4+ is bonded to four S2- atoms to form corner-sharing GeS4 tetrahedra. There are three shorter (2.24 Å) and one longer (2.26 Å) Ge–S bond lengths. There are eight 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 Ge4+ atoms. In the seventh S2- site, S2- is bonded in an L-shaped geometry to two Ge4+ atoms. In the eighth S2- site, S2- is bonded in an L-shaped geometry to two Ge4+ atoms.},
doi = {10.17188/1276442},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Fri May 01 00:00:00 EDT 2020},
month = {Fri May 01 00:00:00 EDT 2020}
}