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Title: Materials Data on TaOs3 by Materials Project

Abstract

TaOs3 crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Ta5+ is bonded in a 6-coordinate geometry to six equivalent Os+1.67- atoms. All Ta–Os bond lengths are 2.89 Å. There are two inequivalent Os+1.67- sites. In the first Os+1.67- site, Os+1.67- is bonded to twelve Os+1.67- atoms to form a mixture of corner, edge, and face-sharing OsOs12 cuboctahedra. There are six shorter (2.68 Å) and six longer (2.79 Å) Os–Os bond lengths. In the second Os+1.67- site, Os+1.67- is bonded to three equivalent Ta5+ and nine Os+1.67- atoms to form distorted OsTa3Os9 cuboctahedra that share corners with eighteen equivalent OsTa3Os9 cuboctahedra, edges with twelve OsOs12 cuboctahedra, and faces with fourteen OsOs12 cuboctahedra. All Os–Os bond lengths are 2.79 Å.

Publication Date:
Other Number(s):
mp-1217906
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; TaOs3; Os-Ta
OSTI Identifier:
1740498
DOI:
https://doi.org/10.17188/1740498

Citation Formats

The Materials Project. Materials Data on TaOs3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1740498.
The Materials Project. Materials Data on TaOs3 by Materials Project. United States. doi:https://doi.org/10.17188/1740498
The Materials Project. 2020. "Materials Data on TaOs3 by Materials Project". United States. doi:https://doi.org/10.17188/1740498. https://www.osti.gov/servlets/purl/1740498. Pub date:Mon May 04 00:00:00 EDT 2020
@article{osti_1740498,
title = {Materials Data on TaOs3 by Materials Project},
author = {The Materials Project},
abstractNote = {TaOs3 crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Ta5+ is bonded in a 6-coordinate geometry to six equivalent Os+1.67- atoms. All Ta–Os bond lengths are 2.89 Å. There are two inequivalent Os+1.67- sites. In the first Os+1.67- site, Os+1.67- is bonded to twelve Os+1.67- atoms to form a mixture of corner, edge, and face-sharing OsOs12 cuboctahedra. There are six shorter (2.68 Å) and six longer (2.79 Å) Os–Os bond lengths. In the second Os+1.67- site, Os+1.67- is bonded to three equivalent Ta5+ and nine Os+1.67- atoms to form distorted OsTa3Os9 cuboctahedra that share corners with eighteen equivalent OsTa3Os9 cuboctahedra, edges with twelve OsOs12 cuboctahedra, and faces with fourteen OsOs12 cuboctahedra. All Os–Os bond lengths are 2.79 Å.},
doi = {10.17188/1740498},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}