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

Title: Materials Data on ThB2C by Materials Project

Abstract

ThB2C crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Th4+ sites. In the first Th4+ site, Th4+ is bonded in a 3-coordinate geometry to three equivalent C4- atoms. All Th–C bond lengths are 2.58 Å. In the second Th4+ site, Th4+ is bonded to six equivalent C4- atoms to form distorted corner-sharing ThC6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Th–C bond lengths are 2.72 Å. B is bonded in a distorted single-bond geometry to one C4- atom. The B–C bond length is 1.50 Å. C4- is bonded in a distorted linear geometry to four Th4+ and two equivalent B atoms.

Publication Date:
Other Number(s):
mp-2997
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; ThB2C; B-C-Th
OSTI Identifier:
1204396
DOI:
https://doi.org/10.17188/1204396

Citation Formats

The Materials Project. Materials Data on ThB2C by Materials Project. United States: N. p., 2017. Web. doi:10.17188/1204396.
The Materials Project. Materials Data on ThB2C by Materials Project. United States. doi:https://doi.org/10.17188/1204396
The Materials Project. 2017. "Materials Data on ThB2C by Materials Project". United States. doi:https://doi.org/10.17188/1204396. https://www.osti.gov/servlets/purl/1204396. Pub date:Wed May 10 00:00:00 EDT 2017
@article{osti_1204396,
title = {Materials Data on ThB2C by Materials Project},
author = {The Materials Project},
abstractNote = {ThB2C crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Th4+ sites. In the first Th4+ site, Th4+ is bonded in a 3-coordinate geometry to three equivalent C4- atoms. All Th–C bond lengths are 2.58 Å. In the second Th4+ site, Th4+ is bonded to six equivalent C4- atoms to form distorted corner-sharing ThC6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Th–C bond lengths are 2.72 Å. B is bonded in a distorted single-bond geometry to one C4- atom. The B–C bond length is 1.50 Å. C4- is bonded in a distorted linear geometry to four Th4+ and two equivalent B atoms.},
doi = {10.17188/1204396},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {5}
}