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Title: Materials Data on TiOs2 by Materials Project

Abstract

TiOs2 is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ti4+ is bonded in a 12-coordinate geometry to twelve Os2- atoms. There are a spread of Ti–Os bond distances ranging from 2.98–3.03 Å. There are two inequivalent Os2- sites. In the first Os2- site, Os2- is bonded to six equivalent Ti4+ and six equivalent Os2- atoms to form a mixture of corner, edge, and face-sharing OsTi6Os6 cuboctahedra. All Os–Os bond lengths are 2.60 Å. In the second Os2- site, Os2- is bonded to six equivalent Ti4+ and six Os2- atoms to form a mixture of corner, edge, and face-sharing OsTi6Os6 cuboctahedra. There are two shorter (2.46 Å) and two longer (2.67 Å) Os–Os bond lengths.

Publication Date:
Other Number(s):
mp-1101941
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; TiOs2; Os-Ti
OSTI Identifier:
1686002
DOI:
https://doi.org/10.17188/1686002

Citation Formats

The Materials Project. Materials Data on TiOs2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1686002.
The Materials Project. Materials Data on TiOs2 by Materials Project. United States. doi:https://doi.org/10.17188/1686002
The Materials Project. 2020. "Materials Data on TiOs2 by Materials Project". United States. doi:https://doi.org/10.17188/1686002. https://www.osti.gov/servlets/purl/1686002. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1686002,
title = {Materials Data on TiOs2 by Materials Project},
author = {The Materials Project},
abstractNote = {TiOs2 is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ti4+ is bonded in a 12-coordinate geometry to twelve Os2- atoms. There are a spread of Ti–Os bond distances ranging from 2.98–3.03 Å. There are two inequivalent Os2- sites. In the first Os2- site, Os2- is bonded to six equivalent Ti4+ and six equivalent Os2- atoms to form a mixture of corner, edge, and face-sharing OsTi6Os6 cuboctahedra. All Os–Os bond lengths are 2.60 Å. In the second Os2- site, Os2- is bonded to six equivalent Ti4+ and six Os2- atoms to form a mixture of corner, edge, and face-sharing OsTi6Os6 cuboctahedra. There are two shorter (2.46 Å) and two longer (2.67 Å) Os–Os bond lengths.},
doi = {10.17188/1686002},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}