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Title: Materials Data on Zr2SN2 by Materials Project

Abstract

Zr2N2S crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Zr4+ is bonded in a 4-coordinate geometry to four equivalent N3- and three equivalent S2- atoms. There are three shorter (2.15 Å) and one longer (2.21 Å) Zr–N bond lengths. All Zr–S bond lengths are 2.84 Å. N3- is bonded to four equivalent Zr4+ atoms to form a mixture of distorted edge and corner-sharing NZr4 tetrahedra. S2- is bonded in a 6-coordinate geometry to six equivalent Zr4+ atoms.

Publication Date:
Other Number(s):
mp-11583
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; Zr2SN2; N-S-Zr
OSTI Identifier:
1188088
DOI:
https://doi.org/10.17188/1188088

Citation Formats

The Materials Project. Materials Data on Zr2SN2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1188088.
The Materials Project. Materials Data on Zr2SN2 by Materials Project. United States. doi:https://doi.org/10.17188/1188088
The Materials Project. 2020. "Materials Data on Zr2SN2 by Materials Project". United States. doi:https://doi.org/10.17188/1188088. https://www.osti.gov/servlets/purl/1188088. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1188088,
title = {Materials Data on Zr2SN2 by Materials Project},
author = {The Materials Project},
abstractNote = {Zr2N2S crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Zr4+ is bonded in a 4-coordinate geometry to four equivalent N3- and three equivalent S2- atoms. There are three shorter (2.15 Å) and one longer (2.21 Å) Zr–N bond lengths. All Zr–S bond lengths are 2.84 Å. N3- is bonded to four equivalent Zr4+ atoms to form a mixture of distorted edge and corner-sharing NZr4 tetrahedra. S2- is bonded in a 6-coordinate geometry to six equivalent Zr4+ atoms.},
doi = {10.17188/1188088},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}