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Title: Materials Data on ZrUCN by Materials Project

Abstract

UZrCN is alpha Po-derived structured and crystallizes in the trigonal R3m space group. The structure is three-dimensional. U3+ is bonded to three equivalent C4- and three equivalent N3- atoms to form UC3N3 octahedra that share corners with six equivalent ZrC3N3 octahedra, edges with six equivalent UC3N3 octahedra, and edges with six equivalent ZrC3N3 octahedra. The corner-sharing octahedra tilt angles range from 1–2°. All U–C bond lengths are 2.41 Å. All U–N bond lengths are 2.42 Å. Zr4+ is bonded to three equivalent C4- and three equivalent N3- atoms to form ZrC3N3 octahedra that share corners with six equivalent UC3N3 octahedra, edges with six equivalent UC3N3 octahedra, and edges with six equivalent ZrC3N3 octahedra. The corner-sharing octahedra tilt angles range from 1–2°. All Zr–C bond lengths are 2.38 Å. All Zr–N bond lengths are 2.36 Å. C4- is bonded to three equivalent U3+ and three equivalent Zr4+ atoms to form CZr3U3 octahedra that share corners with six equivalent NZr3U3 octahedra, edges with six equivalent CZr3U3 octahedra, and edges with six equivalent NZr3U3 octahedra. The corner-sharing octahedra tilt angles range from 0–1°. N3- is bonded to three equivalent U3+ and three equivalent Zr4+ atoms to form NZr3U3 octahedra that share corners withmore » six equivalent CZr3U3 octahedra, edges with six equivalent CZr3U3 octahedra, and edges with six equivalent NZr3U3 octahedra. The corner-sharing octahedra tilt angles range from 0–1°.« less

Publication Date:
Other Number(s):
mp-1215199
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; ZrUCN; C-N-U-Zr
OSTI Identifier:
1727076
DOI:
https://doi.org/10.17188/1727076

Citation Formats

The Materials Project. Materials Data on ZrUCN by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1727076.
The Materials Project. Materials Data on ZrUCN by Materials Project. United States. doi:https://doi.org/10.17188/1727076
The Materials Project. 2020. "Materials Data on ZrUCN by Materials Project". United States. doi:https://doi.org/10.17188/1727076. https://www.osti.gov/servlets/purl/1727076. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1727076,
title = {Materials Data on ZrUCN by Materials Project},
author = {The Materials Project},
abstractNote = {UZrCN is alpha Po-derived structured and crystallizes in the trigonal R3m space group. The structure is three-dimensional. U3+ is bonded to three equivalent C4- and three equivalent N3- atoms to form UC3N3 octahedra that share corners with six equivalent ZrC3N3 octahedra, edges with six equivalent UC3N3 octahedra, and edges with six equivalent ZrC3N3 octahedra. The corner-sharing octahedra tilt angles range from 1–2°. All U–C bond lengths are 2.41 Å. All U–N bond lengths are 2.42 Å. Zr4+ is bonded to three equivalent C4- and three equivalent N3- atoms to form ZrC3N3 octahedra that share corners with six equivalent UC3N3 octahedra, edges with six equivalent UC3N3 octahedra, and edges with six equivalent ZrC3N3 octahedra. The corner-sharing octahedra tilt angles range from 1–2°. All Zr–C bond lengths are 2.38 Å. All Zr–N bond lengths are 2.36 Å. C4- is bonded to three equivalent U3+ and three equivalent Zr4+ atoms to form CZr3U3 octahedra that share corners with six equivalent NZr3U3 octahedra, edges with six equivalent CZr3U3 octahedra, and edges with six equivalent NZr3U3 octahedra. The corner-sharing octahedra tilt angles range from 0–1°. N3- is bonded to three equivalent U3+ and three equivalent Zr4+ atoms to form NZr3U3 octahedra that share corners with six equivalent CZr3U3 octahedra, edges with six equivalent CZr3U3 octahedra, and edges with six equivalent NZr3U3 octahedra. The corner-sharing octahedra tilt angles range from 0–1°.},
doi = {10.17188/1727076},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}