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Title: Materials Data on ZrOs2 by Materials Project

Abstract

ZrOs2 is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Zr4+ is bonded in a 12-coordinate geometry to twelve Os2- atoms. There are a spread of Zr–Os bond distances ranging from 3.06–3.09 Å. There are two inequivalent Os2- sites. In the first Os2- site, Os2- is bonded to six equivalent Zr4+ and six equivalent Os2- atoms to form a mixture of face, edge, and corner-sharing OsZr6Os6 cuboctahedra. All Os–Os bond lengths are 2.66 Å. In the second Os2- site, Os2- is bonded to six equivalent Zr4+ and six Os2- atoms to form a mixture of face, edge, and corner-sharing OsZr6Os6 cuboctahedra. There are two shorter (2.53 Å) and two longer (2.72 Å) Os–Os bond lengths.

Publication Date:
Other Number(s):
mp-570684
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; ZrOs2; Os-Zr
OSTI Identifier:
1275854
DOI:
https://doi.org/10.17188/1275854

Citation Formats

The Materials Project. Materials Data on ZrOs2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1275854.
The Materials Project. Materials Data on ZrOs2 by Materials Project. United States. doi:https://doi.org/10.17188/1275854
The Materials Project. 2020. "Materials Data on ZrOs2 by Materials Project". United States. doi:https://doi.org/10.17188/1275854. https://www.osti.gov/servlets/purl/1275854. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1275854,
title = {Materials Data on ZrOs2 by Materials Project},
author = {The Materials Project},
abstractNote = {ZrOs2 is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Zr4+ is bonded in a 12-coordinate geometry to twelve Os2- atoms. There are a spread of Zr–Os bond distances ranging from 3.06–3.09 Å. There are two inequivalent Os2- sites. In the first Os2- site, Os2- is bonded to six equivalent Zr4+ and six equivalent Os2- atoms to form a mixture of face, edge, and corner-sharing OsZr6Os6 cuboctahedra. All Os–Os bond lengths are 2.66 Å. In the second Os2- site, Os2- is bonded to six equivalent Zr4+ and six Os2- atoms to form a mixture of face, edge, and corner-sharing OsZr6Os6 cuboctahedra. There are two shorter (2.53 Å) and two longer (2.72 Å) Os–Os bond lengths.},
doi = {10.17188/1275854},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}