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Title: Materials Data on ZrSO by Materials Project

Abstract

ZrOS crystallizes in the cubic P2_13 space group. The structure is three-dimensional. Zr4+ is bonded in a 3-coordinate geometry to four equivalent S2- and three equivalent O2- atoms. There are one shorter (2.60 Å) and three longer (2.76 Å) Zr–S bond lengths. All Zr–O bond lengths are 2.11 Å. S2- is bonded in a 4-coordinate geometry to four equivalent Zr4+ and seven equivalent O2- atoms. There are a spread of S–O bond distances ranging from 2.99–3.25 Å. O2- is bonded in a trigonal planar geometry to three equivalent Zr4+ and seven equivalent S2- atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-3519
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; ZrSO; O-S-Zr
OSTI Identifier:
1206946
DOI:
10.17188/1206946

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on ZrSO by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1206946.
Persson, Kristin, & Project, Materials. Materials Data on ZrSO by Materials Project. United States. doi:10.17188/1206946.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on ZrSO by Materials Project". United States. doi:10.17188/1206946. https://www.osti.gov/servlets/purl/1206946. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1206946,
title = {Materials Data on ZrSO by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {ZrOS crystallizes in the cubic P2_13 space group. The structure is three-dimensional. Zr4+ is bonded in a 3-coordinate geometry to four equivalent S2- and three equivalent O2- atoms. There are one shorter (2.60 Å) and three longer (2.76 Å) Zr–S bond lengths. All Zr–O bond lengths are 2.11 Å. S2- is bonded in a 4-coordinate geometry to four equivalent Zr4+ and seven equivalent O2- atoms. There are a spread of S–O bond distances ranging from 2.99–3.25 Å. O2- is bonded in a trigonal planar geometry to three equivalent Zr4+ and seven equivalent S2- atoms.},
doi = {10.17188/1206946},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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