Materials Data on Ge3Mo5C by Materials Project

Dataset · Wed Jul 15 00:00:00 EDT 2020

DOI:https://doi.org/10.17188/1192837· OSTI ID:1192837

The Materials Project

Mo5Ge3C crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Mo sites. In the first Mo site, Mo is bonded in a 7-coordinate geometry to five equivalent Ge and two equivalent C atoms. There are a spread of Mo–Ge bond distances ranging from 2.62–2.98 Å. Both Mo–C bond lengths are 2.15 Å. In the second Mo site, Mo is bonded in a 6-coordinate geometry to two equivalent Mo and six equivalent Ge atoms. Both Mo–Mo bond lengths are 2.67 Å. All Mo–Ge bond lengths are 2.64 Å. Ge is bonded in a 9-coordinate geometry to nine Mo atoms. C is bonded to six equivalent Mo atoms to form face-sharing CMo6 octahedra.

• 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: 1192837
• Report Number(s): mp-18021
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
Ge3Mo5C
C-Ge-Mo