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Title: Materials Data on HfNbC2 by Materials Project

Abstract

HfNbC2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Hf4+ is bonded to six equivalent C4- atoms to form HfC6 octahedra that share corners with six equivalent NbC6 octahedra, edges with six equivalent HfC6 octahedra, and edges with six equivalent NbC6 octahedra. The corner-sharing octahedral tilt angles are 1°. All Hf–C bond lengths are 2.30 Å. Nb4+ is bonded to six equivalent C4- atoms to form NbC6 octahedra that share corners with six equivalent HfC6 octahedra, edges with six equivalent HfC6 octahedra, and edges with six equivalent NbC6 octahedra. The corner-sharing octahedral tilt angles are 1°. All Nb–C bond lengths are 2.27 Å. C4- is bonded to three equivalent Hf4+ and three equivalent Nb4+ atoms to form a mixture of edge and corner-sharing CHf3Nb3 octahedra. The corner-sharing octahedral tilt angles are 0°.

Publication Date:
Other Number(s):
mp-1224334
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; HfNbC2; C-Hf-Nb
OSTI Identifier:
1677962
DOI:
https://doi.org/10.17188/1677962

Citation Formats

The Materials Project. Materials Data on HfNbC2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1677962.
The Materials Project. Materials Data on HfNbC2 by Materials Project. United States. doi:https://doi.org/10.17188/1677962
The Materials Project. 2020. "Materials Data on HfNbC2 by Materials Project". United States. doi:https://doi.org/10.17188/1677962. https://www.osti.gov/servlets/purl/1677962. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1677962,
title = {Materials Data on HfNbC2 by Materials Project},
author = {The Materials Project},
abstractNote = {HfNbC2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Hf4+ is bonded to six equivalent C4- atoms to form HfC6 octahedra that share corners with six equivalent NbC6 octahedra, edges with six equivalent HfC6 octahedra, and edges with six equivalent NbC6 octahedra. The corner-sharing octahedral tilt angles are 1°. All Hf–C bond lengths are 2.30 Å. Nb4+ is bonded to six equivalent C4- atoms to form NbC6 octahedra that share corners with six equivalent HfC6 octahedra, edges with six equivalent HfC6 octahedra, and edges with six equivalent NbC6 octahedra. The corner-sharing octahedral tilt angles are 1°. All Nb–C bond lengths are 2.27 Å. C4- is bonded to three equivalent Hf4+ and three equivalent Nb4+ atoms to form a mixture of edge and corner-sharing CHf3Nb3 octahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1677962},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}