Materials Data on GaMo4CS8 by Materials Project
Mo4GaCS8 crystallizes in the cubic F-43m space group. The structure is three-dimensional. Mo+4.25+ is bonded in a 3-coordinate geometry to one C4- and six S2- atoms. The Mo–C bond length is 2.70 Å. There are three shorter (2.36 Å) and three longer (2.72 Å) Mo–S bond lengths. Ga3+ is bonded to four equivalent S2- atoms to form GaS4 tetrahedra that share corners with four equivalent CMo4S4 tetrahedra. All Ga–S bond lengths are 2.53 Å. C4- is bonded to four equivalent Mo+4.25+ and four equivalent S2- atoms to form distorted CMo4S4 tetrahedra that share corners with four equivalent GaS4 tetrahedra. All C–S bond lengths are 1.88 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 3-coordinate geometry to three equivalent Mo+4.25+ atoms. In the second S2- site, S2- is bonded in a 2-coordinate geometry to three equivalent Mo+4.25+, one Ga3+, and one C4- atom.
- Research Organization:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Contributing Organization:
- MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- OSTI ID:
- 1191422
- Report Number(s):
- mp-15862
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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