DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: 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.

Publication Date:
Other Number(s):
mp-10720
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
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}
}