Materials Data on ThC2 by Materials Project

Dataset · Thu Jul 16 00:00:00 EDT 2020

DOI:https://doi.org/10.17188/1275523· OSTI ID:1275523

The Materials Project

ThC2 crystallizes in the tetragonal P4_2/mmc space group. The structure is three-dimensional. Th4+ is bonded to eight equivalent C2- atoms to form ThC8 hexagonal bipyramids that share corners with eight equivalent CTh4C trigonal bipyramids and edges with twelve equivalent ThC8 hexagonal bipyramids. There are four shorter (2.61 Å) and four longer (2.69 Å) Th–C bond lengths. C2- is bonded to four equivalent Th4+ and one C2- atom to form distorted CTh4C trigonal bipyramids that share corners with four equivalent ThC8 hexagonal bipyramids, corners with sixteen equivalent CTh4C trigonal bipyramids, and edges with six equivalent CTh4C trigonal bipyramids. The C–C bond length is 1.32 Å.

• 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: 1275523
• Report Number(s): mp-570108
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
ThC2
C-Th