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Title: Materials Data on ZrIN by Materials Project

Abstract

ZrNI crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of three ZrNI sheets oriented in the (0, 0, 1) direction. Zr4+ is bonded in a 4-coordinate geometry to four equivalent N3- and three equivalent I1- atoms. There are one shorter (2.17 Å) and three longer (2.21 Å) Zr–N bond lengths. All Zr–I bond lengths are 3.10 Å. N3- is bonded to four equivalent Zr4+ atoms to form a mixture of distorted edge and corner-sharing NZr4 trigonal pyramids. I1- is bonded in a 3-coordinate geometry to three equivalent Zr4+ atoms.

Publication Date:
Other Number(s):
mp-580886
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; ZrIN; I-N-Zr
OSTI Identifier:
1276800
DOI:
https://doi.org/10.17188/1276800

Citation Formats

The Materials Project. Materials Data on ZrIN by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1276800.
The Materials Project. Materials Data on ZrIN by Materials Project. United States. doi:https://doi.org/10.17188/1276800
The Materials Project. 2020. "Materials Data on ZrIN by Materials Project". United States. doi:https://doi.org/10.17188/1276800. https://www.osti.gov/servlets/purl/1276800. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1276800,
title = {Materials Data on ZrIN by Materials Project},
author = {The Materials Project},
abstractNote = {ZrNI crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of three ZrNI sheets oriented in the (0, 0, 1) direction. Zr4+ is bonded in a 4-coordinate geometry to four equivalent N3- and three equivalent I1- atoms. There are one shorter (2.17 Å) and three longer (2.21 Å) Zr–N bond lengths. All Zr–I bond lengths are 3.10 Å. N3- is bonded to four equivalent Zr4+ atoms to form a mixture of distorted edge and corner-sharing NZr4 trigonal pyramids. I1- is bonded in a 3-coordinate geometry to three equivalent Zr4+ atoms.},
doi = {10.17188/1276800},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}