Materials Data on Sm5Si4 by Materials Project
Abstract
Sm5Si4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Sm sites. In the first Sm site, Sm is bonded to six Si atoms to form a mixture of distorted face and corner-sharing SmSi6 octahedra. The corner-sharing octahedra tilt angles range from 43–57°. There are a spread of Sm–Si bond distances ranging from 2.99–3.38 Å. In the second Sm site, Sm is bonded in a 6-coordinate geometry to six Si atoms. There are a spread of Sm–Si bond distances ranging from 2.93–3.09 Å. In the third Sm site, Sm is bonded to six Si atoms to form a mixture of distorted face, edge, and corner-sharing SmSi6 octahedra. The corner-sharing octahedra tilt angles range from 39–45°. There are a spread of Sm–Si bond distances ranging from 3.13–3.21 Å. There are three inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to eight Sm and one Si atom. The Si–Si bond length is 2.53 Å. In the second Si site, Si is bonded in a 8-coordinate geometry to seven Sm and one Si atom. The Si–Si bond length is 2.47 Å. In the third Si site, Si is bonded inmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-567800
- 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; Sm5Si4; Si-Sm
- OSTI Identifier:
- 1274058
- DOI:
- https://doi.org/10.17188/1274058
Citation Formats
The Materials Project. Materials Data on Sm5Si4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1274058.
The Materials Project. Materials Data on Sm5Si4 by Materials Project. United States. doi:https://doi.org/10.17188/1274058
The Materials Project. 2020.
"Materials Data on Sm5Si4 by Materials Project". United States. doi:https://doi.org/10.17188/1274058. https://www.osti.gov/servlets/purl/1274058. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1274058,
title = {Materials Data on Sm5Si4 by Materials Project},
author = {The Materials Project},
abstractNote = {Sm5Si4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Sm sites. In the first Sm site, Sm is bonded to six Si atoms to form a mixture of distorted face and corner-sharing SmSi6 octahedra. The corner-sharing octahedra tilt angles range from 43–57°. There are a spread of Sm–Si bond distances ranging from 2.99–3.38 Å. In the second Sm site, Sm is bonded in a 6-coordinate geometry to six Si atoms. There are a spread of Sm–Si bond distances ranging from 2.93–3.09 Å. In the third Sm site, Sm is bonded to six Si atoms to form a mixture of distorted face, edge, and corner-sharing SmSi6 octahedra. The corner-sharing octahedra tilt angles range from 39–45°. There are a spread of Sm–Si bond distances ranging from 3.13–3.21 Å. There are three inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to eight Sm and one Si atom. The Si–Si bond length is 2.53 Å. In the second Si site, Si is bonded in a 8-coordinate geometry to seven Sm and one Si atom. The Si–Si bond length is 2.47 Å. In the third Si site, Si is bonded in a 9-coordinate geometry to eight Sm and one Si atom.},
doi = {10.17188/1274058},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat May 02 00:00:00 EDT 2020},
month = {Sat May 02 00:00:00 EDT 2020}
}