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Title: Materials Data on TiWC2 by Materials Project

Abstract

WTiC2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Ti4+ is bonded to six equivalent C4- atoms to form TiC6 octahedra that share corners with six equivalent WC6 octahedra, edges with six equivalent TiC6 octahedra, and edges with six equivalent WC6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Ti–C bond lengths are 2.17 Å. W4+ is bonded to six equivalent C4- atoms to form WC6 octahedra that share corners with six equivalent TiC6 octahedra, edges with six equivalent TiC6 octahedra, and edges with six equivalent WC6 octahedra. The corner-sharing octahedral tilt angles are 0°. All W–C bond lengths are 2.18 Å. C4- is bonded to three equivalent Ti4+ and three equivalent W4+ atoms to form a mixture of edge and corner-sharing CTi3W3 octahedra. The corner-sharing octahedral tilt angles are 0°.

Publication Date:
Other Number(s):
mp-1216690
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; TiWC2; C-Ti-W
OSTI Identifier:
1744744
DOI:
https://doi.org/10.17188/1744744

Citation Formats

The Materials Project. Materials Data on TiWC2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1744744.
The Materials Project. Materials Data on TiWC2 by Materials Project. United States. doi:https://doi.org/10.17188/1744744
The Materials Project. 2020. "Materials Data on TiWC2 by Materials Project". United States. doi:https://doi.org/10.17188/1744744. https://www.osti.gov/servlets/purl/1744744. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1744744,
title = {Materials Data on TiWC2 by Materials Project},
author = {The Materials Project},
abstractNote = {WTiC2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Ti4+ is bonded to six equivalent C4- atoms to form TiC6 octahedra that share corners with six equivalent WC6 octahedra, edges with six equivalent TiC6 octahedra, and edges with six equivalent WC6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Ti–C bond lengths are 2.17 Å. W4+ is bonded to six equivalent C4- atoms to form WC6 octahedra that share corners with six equivalent TiC6 octahedra, edges with six equivalent TiC6 octahedra, and edges with six equivalent WC6 octahedra. The corner-sharing octahedral tilt angles are 0°. All W–C bond lengths are 2.18 Å. C4- is bonded to three equivalent Ti4+ and three equivalent W4+ atoms to form a mixture of edge and corner-sharing CTi3W3 octahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1744744},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}