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Title: Materials Data on B4Os by Materials Project

Abstract

OsB4 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Os6+ sites. In the first Os6+ site, Os6+ is bonded in a 12-coordinate geometry to fourteen B+1.50- atoms. There are two shorter (2.36 Å) and twelve longer (2.40 Å) Os–B bond lengths. In the second Os6+ site, Os6+ is bonded to twelve equivalent B+1.50- atoms to form face-sharing OsB12 cuboctahedra. All Os–B bond lengths are 2.41 Å. There are two inequivalent B+1.50- sites. In the first B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four Os6+ and five B+1.50- atoms. There are a spread of B–B bond distances ranging from 1.77–1.93 Å. In the second B+1.50- site, B+1.50- is bonded in a 1-coordinate geometry to one Os6+ and seven B+1.50- atoms. The B–B bond length is 1.73 Å.

Authors:
Publication Date:
Other Number(s):
mp-1188147
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; B4Os; B-Os
OSTI Identifier:
1753320
DOI:
https://doi.org/10.17188/1753320

Citation Formats

The Materials Project. Materials Data on B4Os by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1753320.
The Materials Project. Materials Data on B4Os by Materials Project. United States. doi:https://doi.org/10.17188/1753320
The Materials Project. 2020. "Materials Data on B4Os by Materials Project". United States. doi:https://doi.org/10.17188/1753320. https://www.osti.gov/servlets/purl/1753320. Pub date:Fri May 01 00:00:00 EDT 2020
@article{osti_1753320,
title = {Materials Data on B4Os by Materials Project},
author = {The Materials Project},
abstractNote = {OsB4 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Os6+ sites. In the first Os6+ site, Os6+ is bonded in a 12-coordinate geometry to fourteen B+1.50- atoms. There are two shorter (2.36 Å) and twelve longer (2.40 Å) Os–B bond lengths. In the second Os6+ site, Os6+ is bonded to twelve equivalent B+1.50- atoms to form face-sharing OsB12 cuboctahedra. All Os–B bond lengths are 2.41 Å. There are two inequivalent B+1.50- sites. In the first B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four Os6+ and five B+1.50- atoms. There are a spread of B–B bond distances ranging from 1.77–1.93 Å. In the second B+1.50- site, B+1.50- is bonded in a 1-coordinate geometry to one Os6+ and seven B+1.50- atoms. The B–B bond length is 1.73 Å.},
doi = {10.17188/1753320},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}