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Title: Materials Data on Zr4Pd2N by Materials Project

Abstract

Zr4Pd2N crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. there are two inequivalent Zr sites. In the first Zr site, Zr is bonded in a 6-coordinate geometry to six equivalent Pd atoms. All Zr–Pd bond lengths are 2.76 Å. In the second Zr site, Zr is bonded in a distorted bent 150 degrees geometry to two equivalent Pd and two equivalent N atoms. Both Zr–Pd bond lengths are 2.87 Å. Both Zr–N bond lengths are 2.33 Å. Pd is bonded in a 9-coordinate geometry to six Zr atoms. N is bonded to six equivalent Zr atoms to form corner-sharing NZr6 octahedra. The corner-sharing octahedral tilt angles are 35°.

Publication Date:
Other Number(s):
mp-1194130
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; Zr4Pd2N; N-Pd-Zr
OSTI Identifier:
1655968
DOI:
https://doi.org/10.17188/1655968

Citation Formats

The Materials Project. Materials Data on Zr4Pd2N by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1655968.
The Materials Project. Materials Data on Zr4Pd2N by Materials Project. United States. doi:https://doi.org/10.17188/1655968
The Materials Project. 2020. "Materials Data on Zr4Pd2N by Materials Project". United States. doi:https://doi.org/10.17188/1655968. https://www.osti.gov/servlets/purl/1655968. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1655968,
title = {Materials Data on Zr4Pd2N by Materials Project},
author = {The Materials Project},
abstractNote = {Zr4Pd2N crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. there are two inequivalent Zr sites. In the first Zr site, Zr is bonded in a 6-coordinate geometry to six equivalent Pd atoms. All Zr–Pd bond lengths are 2.76 Å. In the second Zr site, Zr is bonded in a distorted bent 150 degrees geometry to two equivalent Pd and two equivalent N atoms. Both Zr–Pd bond lengths are 2.87 Å. Both Zr–N bond lengths are 2.33 Å. Pd is bonded in a 9-coordinate geometry to six Zr atoms. N is bonded to six equivalent Zr atoms to form corner-sharing NZr6 octahedra. The corner-sharing octahedral tilt angles are 35°.},
doi = {10.17188/1655968},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}