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Title: Materials Data on ZrWC2 by Materials Project

Abstract

ZrWC2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Zr2+ is bonded to six equivalent C4- atoms to form ZrC6 octahedra that share corners with six equivalent WC6 octahedra, edges with six equivalent ZrC6 octahedra, and edges with six equivalent WC6 octahedra. The corner-sharing octahedral tilt angles are 4°. All Zr–C bond lengths are 2.33 Å. W6+ is bonded to six equivalent C4- atoms to form WC6 octahedra that share corners with six equivalent ZrC6 octahedra, edges with six equivalent ZrC6 octahedra, and edges with six equivalent WC6 octahedra. The corner-sharing octahedral tilt angles are 4°. All W–C bond lengths are 2.21 Å. C4- is bonded to three equivalent Zr2+ and three equivalent W6+ atoms to form a mixture of edge and corner-sharing CZr3W3 octahedra. The corner-sharing octahedral tilt angles are 0°.

Publication Date:
Other Number(s):
mp-1215167
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; ZrWC2; C-W-Zr
OSTI Identifier:
1665602
DOI:
https://doi.org/10.17188/1665602

Citation Formats

The Materials Project. Materials Data on ZrWC2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1665602.
The Materials Project. Materials Data on ZrWC2 by Materials Project. United States. doi:https://doi.org/10.17188/1665602
The Materials Project. 2020. "Materials Data on ZrWC2 by Materials Project". United States. doi:https://doi.org/10.17188/1665602. https://www.osti.gov/servlets/purl/1665602. Pub date:Tue Jul 21 00:00:00 EDT 2020
@article{osti_1665602,
title = {Materials Data on ZrWC2 by Materials Project},
author = {The Materials Project},
abstractNote = {ZrWC2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Zr2+ is bonded to six equivalent C4- atoms to form ZrC6 octahedra that share corners with six equivalent WC6 octahedra, edges with six equivalent ZrC6 octahedra, and edges with six equivalent WC6 octahedra. The corner-sharing octahedral tilt angles are 4°. All Zr–C bond lengths are 2.33 Å. W6+ is bonded to six equivalent C4- atoms to form WC6 octahedra that share corners with six equivalent ZrC6 octahedra, edges with six equivalent ZrC6 octahedra, and edges with six equivalent WC6 octahedra. The corner-sharing octahedral tilt angles are 4°. All W–C bond lengths are 2.21 Å. C4- is bonded to three equivalent Zr2+ and three equivalent W6+ atoms to form a mixture of edge and corner-sharing CZr3W3 octahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1665602},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}