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Title: Materials Data on Zr2InC by Materials Project

Abstract

Zr2InC is H-Phase structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Zr is bonded in a 3-coordinate geometry to three equivalent In and three equivalent C atoms. All Zr–In bond lengths are 3.20 Å. All Zr–C bond lengths are 2.31 Å. In is bonded to six equivalent Zr atoms to form distorted InZr6 cuboctahedra that share corners with six equivalent CZr6 octahedra, edges with six equivalent InZr6 cuboctahedra, and edges with six equivalent CZr6 octahedra. The corner-sharing octahedral tilt angles are 20°. C is bonded to six equivalent Zr atoms to form CZr6 octahedra that share corners with six equivalent InZr6 cuboctahedra, edges with six equivalent InZr6 cuboctahedra, and edges with six equivalent CZr6 octahedra.

Publication Date:
Other Number(s):
mp-20004
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; Zr2InC; C-In-Zr
OSTI Identifier:
1195181
DOI:
https://doi.org/10.17188/1195181

Citation Formats

The Materials Project. Materials Data on Zr2InC by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1195181.
The Materials Project. Materials Data on Zr2InC by Materials Project. United States. doi:https://doi.org/10.17188/1195181
The Materials Project. 2020. "Materials Data on Zr2InC by Materials Project". United States. doi:https://doi.org/10.17188/1195181. https://www.osti.gov/servlets/purl/1195181. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1195181,
title = {Materials Data on Zr2InC by Materials Project},
author = {The Materials Project},
abstractNote = {Zr2InC is H-Phase structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Zr is bonded in a 3-coordinate geometry to three equivalent In and three equivalent C atoms. All Zr–In bond lengths are 3.20 Å. All Zr–C bond lengths are 2.31 Å. In is bonded to six equivalent Zr atoms to form distorted InZr6 cuboctahedra that share corners with six equivalent CZr6 octahedra, edges with six equivalent InZr6 cuboctahedra, and edges with six equivalent CZr6 octahedra. The corner-sharing octahedral tilt angles are 20°. C is bonded to six equivalent Zr atoms to form CZr6 octahedra that share corners with six equivalent InZr6 cuboctahedra, edges with six equivalent InZr6 cuboctahedra, and edges with six equivalent CZr6 octahedra.},
doi = {10.17188/1195181},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}