Materials Data on Mo3S4 by Materials Project
Mo3S4 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Mo+2.67+ is bonded to five S2- atoms to form a mixture of edge and corner-sharing MoS5 square pyramids. There are a spread of Mo–S bond distances ranging from 2.43–2.46 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 6-coordinate geometry to three equivalent Mo+2.67+ atoms. In the second S2- site, S2- is bonded in a 4-coordinate geometry to four equivalent Mo+2.67+ atoms.
- Research Organization:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Contributing Organization:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231
- OSTI ID:
- 1197073
- Report Number(s):
- mp-2164
- Country of Publication:
- United States
- Language:
- English
Similar Records
Materials Data on Mg(Mo3S4)2 by Materials Project
Materials Data on Cu(Mo3S4)2 by Materials Project
Materials Data on Fe(Mo3S4)2 by Materials Project
Dataset
·
Wed Apr 29 00:00:00 EDT 2020
·
OSTI ID:1282990
Materials Data on Cu(Mo3S4)2 by Materials Project
Dataset
·
Thu Apr 30 00:00:00 EDT 2020
·
OSTI ID:1282822
Materials Data on Fe(Mo3S4)2 by Materials Project
Dataset
·
Sat May 02 00:00:00 EDT 2020
·
OSTI ID:1711532