skip to main content
DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on ZrNCl by Materials Project

Abstract

ZrNCl crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of two ZrNCl sheets oriented in the (0, 0, 1) direction. Zr4+ is bonded in a 3-coordinate geometry to three equivalent N3- and three equivalent Cl1- atoms. All Zr–N bond lengths are 2.09 Å. All Zr–Cl bond lengths are 2.74 Å. N3- is bonded in a trigonal non-coplanar geometry to three equivalent Zr4+ atoms. Cl1- is bonded in a 3-coordinate geometry to three equivalent Zr4+ atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-632657
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; ZrNCl; Cl-N-Zr
OSTI Identifier:
1279329
DOI:
10.17188/1279329

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on ZrNCl by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1279329.
Persson, Kristin, & Project, Materials. Materials Data on ZrNCl by Materials Project. United States. doi:10.17188/1279329.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on ZrNCl by Materials Project". United States. doi:10.17188/1279329. https://www.osti.gov/servlets/purl/1279329. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1279329,
title = {Materials Data on ZrNCl by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {ZrNCl crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of two ZrNCl sheets oriented in the (0, 0, 1) direction. Zr4+ is bonded in a 3-coordinate geometry to three equivalent N3- and three equivalent Cl1- atoms. All Zr–N bond lengths are 2.09 Å. All Zr–Cl bond lengths are 2.74 Å. N3- is bonded in a trigonal non-coplanar geometry to three equivalent Zr4+ atoms. Cl1- is bonded in a 3-coordinate geometry to three equivalent Zr4+ atoms.},
doi = {10.17188/1279329},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

Dataset:

Save / Share: