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Title: Materials Data on ZrSeS by Materials Project

Abstract

ZrSeS is trigonal omega-derived structured and crystallizes in the trigonal P3m1 space group. The structure is two-dimensional and consists of one ZrSeS sheet oriented in the (0, 0, 1) direction. Zr4+ is bonded to three equivalent Se2- and three equivalent S2- atoms to form edge-sharing ZrSe3S3 octahedra. All Zr–Se bond lengths are 2.72 Å. All Zr–S bond lengths are 2.58 Å. Se2- is bonded in a 3-coordinate geometry to three equivalent Zr4+ atoms. S2- is bonded in a distorted T-shaped geometry to three equivalent Zr4+ atoms.

Publication Date:
Other Number(s):
mp-1215215
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; ZrSeS; S-Se-Zr
OSTI Identifier:
1677806
DOI:
https://doi.org/10.17188/1677806

Citation Formats

The Materials Project. Materials Data on ZrSeS by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1677806.
The Materials Project. Materials Data on ZrSeS by Materials Project. United States. doi:https://doi.org/10.17188/1677806
The Materials Project. 2019. "Materials Data on ZrSeS by Materials Project". United States. doi:https://doi.org/10.17188/1677806. https://www.osti.gov/servlets/purl/1677806. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1677806,
title = {Materials Data on ZrSeS by Materials Project},
author = {The Materials Project},
abstractNote = {ZrSeS is trigonal omega-derived structured and crystallizes in the trigonal P3m1 space group. The structure is two-dimensional and consists of one ZrSeS sheet oriented in the (0, 0, 1) direction. Zr4+ is bonded to three equivalent Se2- and three equivalent S2- atoms to form edge-sharing ZrSe3S3 octahedra. All Zr–Se bond lengths are 2.72 Å. All Zr–S bond lengths are 2.58 Å. Se2- is bonded in a 3-coordinate geometry to three equivalent Zr4+ atoms. S2- is bonded in a distorted T-shaped geometry to three equivalent Zr4+ atoms.},
doi = {10.17188/1677806},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}