Materials Data on U2Mo2C3 by Materials Project
U2Mo2C3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. U4+ is bonded in a pentagonal planar geometry to five C4- atoms. There are three shorter (2.43 Å) and two longer (2.46 Å) U–C bond lengths. Mo2+ is bonded to four C4- atoms to form a mixture of edge and corner-sharing MoC4 trigonal pyramids. There are a spread of Mo–C bond distances ranging from 2.11–2.18 Å. There are two inequivalent C4- sites. In the first C4- site, C4- is bonded to four equivalent U4+ and two equivalent Mo2+ atoms to form CU4Mo2 octahedra that share corners with twelve equivalent CU3Mo3 octahedra, edges with two equivalent CU4Mo2 octahedra, and faces with two equivalent CU3Mo3 octahedra. The corner-sharing octahedra tilt angles range from 40–59°. In the second C4- site, C4- is bonded to three equivalent U4+ and three equivalent Mo2+ atoms to form CU3Mo3 octahedra that share corners with six equivalent CU4Mo2 octahedra, edges with six equivalent CU3Mo3 octahedra, and a faceface with one CU4Mo2 octahedra. The corner-sharing octahedra tilt angles range from 40–59°.
- 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:
- 1758527
- Report Number(s):
- mp-1078036
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
Similar Records
Materials Data on Pr2Mo2C3 by Materials Project
Materials Data on La4Zr8Ni15As16 by Materials Project