Materials Data on ThC2 by Materials Project
Abstract
ThC2 is Pyrite structured and crystallizes in the cubic Pa-3 space group. The structure is three-dimensional. Th4+ is bonded to six equivalent C2- atoms to form ThC6 octahedra that share corners with twelve equivalent ThC6 octahedra and corners with six equivalent CTh3C tetrahedra. The corner-sharing octahedral tilt angles are 74°. All Th–C bond lengths are 2.57 Å. C2- is bonded to three equivalent Th4+ and one C2- atom to form CTh3C tetrahedra that share corners with three equivalent ThC6 octahedra and corners with fifteen equivalent CTh3C tetrahedra. The corner-sharing octahedral tilt angles are 67°. The C–C bond length is 1.35 Å.
- Authors:
- Publication Date:
- Other Number(s):
- mp-10720
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Research Org.:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; ThC2; C-Th
- OSTI Identifier:
- 1187313
- DOI:
- https://doi.org/10.17188/1187313
Citation Formats
The Materials Project. Materials Data on ThC2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1187313.
The Materials Project. Materials Data on ThC2 by Materials Project. United States. doi:https://doi.org/10.17188/1187313
The Materials Project. 2020.
"Materials Data on ThC2 by Materials Project". United States. doi:https://doi.org/10.17188/1187313. https://www.osti.gov/servlets/purl/1187313. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1187313,
title = {Materials Data on ThC2 by Materials Project},
author = {The Materials Project},
abstractNote = {ThC2 is Pyrite structured and crystallizes in the cubic Pa-3 space group. The structure is three-dimensional. Th4+ is bonded to six equivalent C2- atoms to form ThC6 octahedra that share corners with twelve equivalent ThC6 octahedra and corners with six equivalent CTh3C tetrahedra. The corner-sharing octahedral tilt angles are 74°. All Th–C bond lengths are 2.57 Å. C2- is bonded to three equivalent Th4+ and one C2- atom to form CTh3C tetrahedra that share corners with three equivalent ThC6 octahedra and corners with fifteen equivalent CTh3C tetrahedra. The corner-sharing octahedral tilt angles are 67°. The C–C bond length is 1.35 Å.},
doi = {10.17188/1187313},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}
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