U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on HfSiOs by Materials Project
Abstract
HfOsSi crystallizes in the orthorhombic Ima2 space group. The structure is three-dimensional. there are three inequivalent Hf sites. In the first Hf site, Hf is bonded in a 11-coordinate geometry to six Os and five Si atoms. There are a spread of Hf–Os bond distances ranging from 2.85–2.96 Å. There are a spread of Hf–Si bond distances ranging from 2.71–2.95 Å. In the second Hf site, Hf is bonded in a 5-coordinate geometry to four Os and five Si atoms. There are two shorter (2.90 Å) and two longer (3.14 Å) Hf–Os bond lengths. There are a spread of Hf–Si bond distances ranging from 2.71–2.73 Å. In the third Hf site, Hf is bonded in a 9-coordinate geometry to six Os and five Si atoms. There are a spread of Hf–Os bond distances ranging from 2.88–3.17 Å. There are a spread of Hf–Si bond distances ranging from 2.71–2.76 Å. There are two inequivalent Os sites. In the first Os site, Os is bonded in a 12-coordinate geometry to five Hf, one Os, and four Si atoms. The Os–Os bond length is 2.87 Å. There are a spread of Os–Si bond distances ranging from 2.47–2.55 Å. In the second Os site,more »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1189249
- 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; HfSiOs; Hf-Os-Si
- OSTI Identifier:
- 1729331
- DOI:
- https://doi.org/10.17188/1729331
Citation Formats
The Materials Project. Materials Data on HfSiOs by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1729331.
The Materials Project. Materials Data on HfSiOs by Materials Project. United States. doi:https://doi.org/10.17188/1729331
The Materials Project. 2020.
"Materials Data on HfSiOs by Materials Project". United States. doi:https://doi.org/10.17188/1729331. https://www.osti.gov/servlets/purl/1729331. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1729331,
title = {Materials Data on HfSiOs by Materials Project},
author = {The Materials Project},
abstractNote = {HfOsSi crystallizes in the orthorhombic Ima2 space group. The structure is three-dimensional. there are three inequivalent Hf sites. In the first Hf site, Hf is bonded in a 11-coordinate geometry to six Os and five Si atoms. There are a spread of Hf–Os bond distances ranging from 2.85–2.96 Å. There are a spread of Hf–Si bond distances ranging from 2.71–2.95 Å. In the second Hf site, Hf is bonded in a 5-coordinate geometry to four Os and five Si atoms. There are two shorter (2.90 Å) and two longer (3.14 Å) Hf–Os bond lengths. There are a spread of Hf–Si bond distances ranging from 2.71–2.73 Å. In the third Hf site, Hf is bonded in a 9-coordinate geometry to six Os and five Si atoms. There are a spread of Hf–Os bond distances ranging from 2.88–3.17 Å. There are a spread of Hf–Si bond distances ranging from 2.71–2.76 Å. There are two inequivalent Os sites. In the first Os site, Os is bonded in a 12-coordinate geometry to five Hf, one Os, and four Si atoms. The Os–Os bond length is 2.87 Å. There are a spread of Os–Si bond distances ranging from 2.47–2.55 Å. In the second Os site, Os is bonded in a 12-coordinate geometry to six Hf, two equivalent Os, and four Si atoms. There are two shorter (2.54 Å) and two longer (2.56 Å) Os–Si bond lengths. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to six Hf and three Os atoms. In the second Si site, Si is bonded in a 9-coordinate geometry to three Hf and six Os atoms.},
doi = {10.17188/1729331},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}