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Title: Materials Data on HfOs2 by Materials Project

Abstract

HfOs2 is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Hf4+ is bonded in a 12-coordinate geometry to twelve Os2- atoms. There are a spread of Hf–Os bond distances ranging from 3.05–3.07 Å. There are two inequivalent Os2- sites. In the first Os2- site, Os2- is bonded to six equivalent Hf4+ and six equivalent Os2- atoms to form a mixture of corner, edge, and face-sharing OsHf6Os6 cuboctahedra. All Os–Os bond lengths are 2.65 Å. In the second Os2- site, Os2- is bonded to six equivalent Hf4+ and six Os2- atoms to form a mixture of corner, edge, and face-sharing OsHf6Os6 cuboctahedra. There are two shorter (2.51 Å) and two longer (2.71 Å) Os–Os bond lengths.

Publication Date:
Other Number(s):
mp-570960
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; HfOs2; Hf-Os
OSTI Identifier:
1276023
DOI:
https://doi.org/10.17188/1276023

Citation Formats

The Materials Project. Materials Data on HfOs2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1276023.
The Materials Project. Materials Data on HfOs2 by Materials Project. United States. doi:https://doi.org/10.17188/1276023
The Materials Project. 2020. "Materials Data on HfOs2 by Materials Project". United States. doi:https://doi.org/10.17188/1276023. https://www.osti.gov/servlets/purl/1276023. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1276023,
title = {Materials Data on HfOs2 by Materials Project},
author = {The Materials Project},
abstractNote = {HfOs2 is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Hf4+ is bonded in a 12-coordinate geometry to twelve Os2- atoms. There are a spread of Hf–Os bond distances ranging from 3.05–3.07 Å. There are two inequivalent Os2- sites. In the first Os2- site, Os2- is bonded to six equivalent Hf4+ and six equivalent Os2- atoms to form a mixture of corner, edge, and face-sharing OsHf6Os6 cuboctahedra. All Os–Os bond lengths are 2.65 Å. In the second Os2- site, Os2- is bonded to six equivalent Hf4+ and six Os2- atoms to form a mixture of corner, edge, and face-sharing OsHf6Os6 cuboctahedra. There are two shorter (2.51 Å) and two longer (2.71 Å) Os–Os bond lengths.},
doi = {10.17188/1276023},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}