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Title: Materials Data on Zr5Sn3N by Materials Project

Abstract

Zr5Sn3N crystallizes in the hexagonal P6_3/mcm 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 Sn atoms. All Zr–Sn bond lengths are 2.96 Å. In the second Zr site, Zr is bonded in a 7-coordinate geometry to five equivalent Sn and two equivalent N atoms. There are a spread of Zr–Sn bond distances ranging from 2.98–3.30 Å. Both Zr–N bond lengths are 2.37 Å. Sn is bonded in a 9-coordinate geometry to nine Zr atoms. N is bonded to six equivalent Zr atoms to form face-sharing NZr6 octahedra.

Publication Date:
Other Number(s):
mp-1189871
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; Zr5Sn3N; N-Sn-Zr
OSTI Identifier:
1726888
DOI:
https://doi.org/10.17188/1726888

Citation Formats

The Materials Project. Materials Data on Zr5Sn3N by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1726888.
The Materials Project. Materials Data on Zr5Sn3N by Materials Project. United States. doi:https://doi.org/10.17188/1726888
The Materials Project. 2020. "Materials Data on Zr5Sn3N by Materials Project". United States. doi:https://doi.org/10.17188/1726888. https://www.osti.gov/servlets/purl/1726888. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1726888,
title = {Materials Data on Zr5Sn3N by Materials Project},
author = {The Materials Project},
abstractNote = {Zr5Sn3N crystallizes in the hexagonal P6_3/mcm 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 Sn atoms. All Zr–Sn bond lengths are 2.96 Å. In the second Zr site, Zr is bonded in a 7-coordinate geometry to five equivalent Sn and two equivalent N atoms. There are a spread of Zr–Sn bond distances ranging from 2.98–3.30 Å. Both Zr–N bond lengths are 2.37 Å. Sn is bonded in a 9-coordinate geometry to nine Zr atoms. N is bonded to six equivalent Zr atoms to form face-sharing NZr6 octahedra.},
doi = {10.17188/1726888},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}