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Title: Materials Data on TaVC2 by Materials Project

Abstract

TaVC2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Ta5+ is bonded to six equivalent C4- atoms to form TaC6 octahedra that share corners with six equivalent VC6 octahedra, edges with six equivalent TaC6 octahedra, and edges with six equivalent VC6 octahedra. The corner-sharing octahedral tilt angles are 3°. All Ta–C bond lengths are 2.20 Å. V3+ is bonded to six equivalent C4- atoms to form VC6 octahedra that share corners with six equivalent TaC6 octahedra, edges with six equivalent TaC6 octahedra, and edges with six equivalent VC6 octahedra. The corner-sharing octahedral tilt angles are 3°. All V–C bond lengths are 2.14 Å. C4- is bonded to three equivalent Ta5+ and three equivalent V3+ atoms to form a mixture of edge and corner-sharing CTa3V3 octahedra. The corner-sharing octahedral tilt angles are 0°.

Publication Date:
Other Number(s):
mp-1217822
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; TaVC2; C-Ta-V
OSTI Identifier:
1651509
DOI:
https://doi.org/10.17188/1651509

Citation Formats

The Materials Project. Materials Data on TaVC2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1651509.
The Materials Project. Materials Data on TaVC2 by Materials Project. United States. doi:https://doi.org/10.17188/1651509
The Materials Project. 2020. "Materials Data on TaVC2 by Materials Project". United States. doi:https://doi.org/10.17188/1651509. https://www.osti.gov/servlets/purl/1651509. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1651509,
title = {Materials Data on TaVC2 by Materials Project},
author = {The Materials Project},
abstractNote = {TaVC2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Ta5+ is bonded to six equivalent C4- atoms to form TaC6 octahedra that share corners with six equivalent VC6 octahedra, edges with six equivalent TaC6 octahedra, and edges with six equivalent VC6 octahedra. The corner-sharing octahedral tilt angles are 3°. All Ta–C bond lengths are 2.20 Å. V3+ is bonded to six equivalent C4- atoms to form VC6 octahedra that share corners with six equivalent TaC6 octahedra, edges with six equivalent TaC6 octahedra, and edges with six equivalent VC6 octahedra. The corner-sharing octahedral tilt angles are 3°. All V–C bond lengths are 2.14 Å. C4- is bonded to three equivalent Ta5+ and three equivalent V3+ atoms to form a mixture of edge and corner-sharing CTa3V3 octahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1651509},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}