U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on SmSi3Os by Materials Project
Abstract
SmOsSi3 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Sm3+ is bonded to twelve Si+1.33- atoms to form a mixture of corner, edge, and face-sharing SmSi12 cuboctahedra. There are a spread of Sm–Si bond distances ranging from 3.09–3.37 Å. Os1+ is bonded in a 5-coordinate geometry to five Si+1.33- atoms. There are one shorter (2.34 Å) and four longer (2.37 Å) Os–Si bond lengths. There are two inequivalent Si+1.33- sites. In the first Si+1.33- site, Si+1.33- is bonded in a distorted single-bond geometry to four equivalent Sm3+, one Os1+, and four equivalent Si+1.33- atoms. All Si–Si bond lengths are 2.62 Å. In the second Si+1.33- site, Si+1.33- is bonded in a distorted bent 120 degrees geometry to four equivalent Sm3+, two equivalent Os1+, and two equivalent Si+1.33- atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1068782
- 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; SmSi3Os; Os-Si-Sm
- OSTI Identifier:
- 1758058
- DOI:
- https://doi.org/10.17188/1758058
Citation Formats
The Materials Project. Materials Data on SmSi3Os by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1758058.
The Materials Project. Materials Data on SmSi3Os by Materials Project. United States. doi:https://doi.org/10.17188/1758058
The Materials Project. 2020.
"Materials Data on SmSi3Os by Materials Project". United States. doi:https://doi.org/10.17188/1758058. https://www.osti.gov/servlets/purl/1758058. Pub date:Thu Sep 03 00:00:00 EDT 2020
@article{osti_1758058,
title = {Materials Data on SmSi3Os by Materials Project},
author = {The Materials Project},
abstractNote = {SmOsSi3 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Sm3+ is bonded to twelve Si+1.33- atoms to form a mixture of corner, edge, and face-sharing SmSi12 cuboctahedra. There are a spread of Sm–Si bond distances ranging from 3.09–3.37 Å. Os1+ is bonded in a 5-coordinate geometry to five Si+1.33- atoms. There are one shorter (2.34 Å) and four longer (2.37 Å) Os–Si bond lengths. There are two inequivalent Si+1.33- sites. In the first Si+1.33- site, Si+1.33- is bonded in a distorted single-bond geometry to four equivalent Sm3+, one Os1+, and four equivalent Si+1.33- atoms. All Si–Si bond lengths are 2.62 Å. In the second Si+1.33- site, Si+1.33- is bonded in a distorted bent 120 degrees geometry to four equivalent Sm3+, two equivalent Os1+, and two equivalent Si+1.33- atoms.},
doi = {10.17188/1758058},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {9}
}