U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on GaGe(MoS2)4 by Materials Project
Abstract
GaGe(MoS2)4 crystallizes in the cubic F-43m space group. The structure is three-dimensional. Mo+2.25+ is bonded in a 3-coordinate geometry to six S2- atoms. There are three shorter (2.36 Å) and three longer (3.01 Å) Mo–S bond lengths. Ga3+ is bonded to four equivalent S2- atoms to form GaS4 tetrahedra that share corners with four equivalent GeS4 tetrahedra. All Ga–S bond lengths are 2.34 Å. Ge4+ is bonded to four equivalent S2- atoms to form GeS4 tetrahedra that share corners with four equivalent GaS4 tetrahedra. All Ge–S bond lengths are 2.26 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted linear geometry to three equivalent Mo+2.25+, one Ga3+, and one Ge4+ atom. In the second S2- site, S2- is bonded in a 3-coordinate geometry to three equivalent Mo+2.25+ atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1212670
- 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; GaGe(MoS2)4; Ga-Ge-Mo-S
- OSTI Identifier:
- 1732696
- DOI:
- https://doi.org/10.17188/1732696
Citation Formats
The Materials Project. Materials Data on GaGe(MoS2)4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1732696.
The Materials Project. Materials Data on GaGe(MoS2)4 by Materials Project. United States. doi:https://doi.org/10.17188/1732696
The Materials Project. 2020.
"Materials Data on GaGe(MoS2)4 by Materials Project". United States. doi:https://doi.org/10.17188/1732696. https://www.osti.gov/servlets/purl/1732696. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1732696,
title = {Materials Data on GaGe(MoS2)4 by Materials Project},
author = {The Materials Project},
abstractNote = {GaGe(MoS2)4 crystallizes in the cubic F-43m space group. The structure is three-dimensional. Mo+2.25+ is bonded in a 3-coordinate geometry to six S2- atoms. There are three shorter (2.36 Å) and three longer (3.01 Å) Mo–S bond lengths. Ga3+ is bonded to four equivalent S2- atoms to form GaS4 tetrahedra that share corners with four equivalent GeS4 tetrahedra. All Ga–S bond lengths are 2.34 Å. Ge4+ is bonded to four equivalent S2- atoms to form GeS4 tetrahedra that share corners with four equivalent GaS4 tetrahedra. All Ge–S bond lengths are 2.26 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted linear geometry to three equivalent Mo+2.25+, one Ga3+, and one Ge4+ atom. In the second S2- site, S2- is bonded in a 3-coordinate geometry to three equivalent Mo+2.25+ atoms.},
doi = {10.17188/1732696},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}