Materials Data on MoC by Materials Project
MoC is Molybdenum Carbide MAX Phase structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Mo4+ sites. In the first Mo4+ site, Mo4+ is bonded to six C4- atoms to form a mixture of edge and corner-sharing MoC6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are three shorter (2.13 Å) and three longer (2.26 Å) Mo–C bond lengths. In the second Mo4+ site, Mo4+ is bonded to six equivalent C4- atoms to form a mixture of distorted edge and corner-sharing MoC6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 2°. All Mo–C bond lengths are 2.19 Å. There are two inequivalent C4- sites. In the first C4- site, C4- is bonded to six equivalent Mo4+ atoms to form a mixture of edge and corner-sharing CMo6 octahedra. The corner-sharing octahedral tilt angles are 5°. In the second C4- site, C4- is bonded to six Mo4+ atoms to form a mixture of face, edge, and corner-sharing CMo6 octahedra. The corner-sharing octahedra tilt angles range from 5–48°.
- 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:
- 1191386
- Report Number(s):
- mp-15798
- Country of Publication:
- United States
- Language:
- English
Similar Records
Materials Data on MoC by Materials Project
Materials Data on MoC by Materials Project
Materials Data on Cr3(MoC2)2 by Materials Project
Dataset
·
Thu Jul 16 00:00:00 EDT 2020
·
OSTI ID:1274131
Materials Data on MoC by Materials Project
Dataset
·
Wed Jul 15 00:00:00 EDT 2020
·
OSTI ID:1201682
Materials Data on Cr3(MoC2)2 by Materials Project
Dataset
·
Thu Sep 03 00:00:00 EDT 2020
·
OSTI ID:1758745