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Title: Materials Data on ZrSO by Materials Project

Abstract

ZrOS is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Zr4+ is bonded in a 9-coordinate geometry to five equivalent S2- and four equivalent O2- atoms. There are one shorter (2.75 Å) and four longer (2.80 Å) Zr–S bond lengths. All Zr–O bond lengths are 2.21 Å. S2- is bonded in a 5-coordinate geometry to five equivalent Zr4+ atoms. O2- is bonded to four equivalent Zr4+ atoms to form a mixture of corner and edge-sharing OZr4 tetrahedra.

Publication Date:
Other Number(s):
mp-8231
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:
1307980
DOI:
https://doi.org/10.17188/1307980

Citation Formats

The Materials Project. Materials Data on ZrSO by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1307980.
The Materials Project. Materials Data on ZrSO by Materials Project. United States. doi:https://doi.org/10.17188/1307980
The Materials Project. 2020. "Materials Data on ZrSO by Materials Project". United States. doi:https://doi.org/10.17188/1307980. https://www.osti.gov/servlets/purl/1307980. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1307980,
title = {Materials Data on ZrSO by Materials Project},
author = {The Materials Project},
abstractNote = {ZrOS is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Zr4+ is bonded in a 9-coordinate geometry to five equivalent S2- and four equivalent O2- atoms. There are one shorter (2.75 Å) and four longer (2.80 Å) Zr–S bond lengths. All Zr–O bond lengths are 2.21 Å. S2- is bonded in a 5-coordinate geometry to five equivalent Zr4+ atoms. O2- is bonded to four equivalent Zr4+ atoms to form a mixture of corner and edge-sharing OZr4 tetrahedra.},
doi = {10.17188/1307980},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}