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Title: Materials Data on TaMoC2 by Materials Project

Abstract

TaMoC2 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 MoC6 octahedra, edges with six equivalent TaC6 octahedra, and edges with six equivalent MoC6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Ta–C bond lengths are 2.21 Å. Mo3+ is bonded to six equivalent C4- atoms to form MoC6 octahedra that share corners with six equivalent TaC6 octahedra, edges with six equivalent TaC6 octahedra, and edges with six equivalent MoC6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Mo–C bond lengths are 2.22 Å. C4- is bonded to three equivalent Ta5+ and three equivalent Mo3+ atoms to form a mixture of corner and edge-sharing CTa3Mo3 octahedra. The corner-sharing octahedral tilt angles are 0°.

Authors:
Publication Date:
Other Number(s):
mp-1217919
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; TaMoC2; C-Mo-Ta
OSTI Identifier:
1675619
DOI:
https://doi.org/10.17188/1675619

Citation Formats

The Materials Project. Materials Data on TaMoC2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1675619.
The Materials Project. Materials Data on TaMoC2 by Materials Project. United States. doi:https://doi.org/10.17188/1675619
The Materials Project. 2020. "Materials Data on TaMoC2 by Materials Project". United States. doi:https://doi.org/10.17188/1675619. https://www.osti.gov/servlets/purl/1675619. Pub date:Mon May 04 00:00:00 EDT 2020
@article{osti_1675619,
title = {Materials Data on TaMoC2 by Materials Project},
author = {The Materials Project},
abstractNote = {TaMoC2 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 MoC6 octahedra, edges with six equivalent TaC6 octahedra, and edges with six equivalent MoC6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Ta–C bond lengths are 2.21 Å. Mo3+ is bonded to six equivalent C4- atoms to form MoC6 octahedra that share corners with six equivalent TaC6 octahedra, edges with six equivalent TaC6 octahedra, and edges with six equivalent MoC6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Mo–C bond lengths are 2.22 Å. C4- is bonded to three equivalent Ta5+ and three equivalent Mo3+ atoms to form a mixture of corner and edge-sharing CTa3Mo3 octahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1675619},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}