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

Title: Materials Data on ZrIN by Materials Project

Abstract

ZrNI crystallizes in the orthorhombic Pmmn space group. The structure is two-dimensional and consists of one ZrNI sheet oriented in the (0, 0, 1) direction. Zr4+ is bonded in a 6-coordinate geometry to four equivalent N3- and two equivalent I1- atoms. There are two shorter (2.17 Å) and two longer (2.18 Å) Zr–N bond lengths. Both Zr–I bond lengths are 2.99 Å. N3- is bonded in a distorted see-saw-like geometry to four equivalent Zr4+ atoms. I1- is bonded in a distorted L-shaped geometry to two equivalent Zr4+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-23052
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; ZrIN; I-N-Zr
OSTI Identifier:
1199197
DOI:
https://doi.org/10.17188/1199197

Citation Formats

The Materials Project. Materials Data on ZrIN by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1199197.
The Materials Project. Materials Data on ZrIN by Materials Project. United States. doi:https://doi.org/10.17188/1199197
The Materials Project. 2020. "Materials Data on ZrIN by Materials Project". United States. doi:https://doi.org/10.17188/1199197. https://www.osti.gov/servlets/purl/1199197. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1199197,
title = {Materials Data on ZrIN by Materials Project},
author = {The Materials Project},
abstractNote = {ZrNI crystallizes in the orthorhombic Pmmn space group. The structure is two-dimensional and consists of one ZrNI sheet oriented in the (0, 0, 1) direction. Zr4+ is bonded in a 6-coordinate geometry to four equivalent N3- and two equivalent I1- atoms. There are two shorter (2.17 Å) and two longer (2.18 Å) Zr–N bond lengths. Both Zr–I bond lengths are 2.99 Å. N3- is bonded in a distorted see-saw-like geometry to four equivalent Zr4+ atoms. I1- is bonded in a distorted L-shaped geometry to two equivalent Zr4+ atoms.},
doi = {10.17188/1199197},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}