U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on ScSn3 by Materials Project
Abstract
ScSn3 is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sc is bonded to twelve Sn atoms to form ScSn12 cuboctahedra that share corners with four equivalent ScSn12 cuboctahedra, edges with eight equivalent ScSn12 cuboctahedra, edges with sixteen equivalent SnSc4Sn8 cuboctahedra, faces with four equivalent ScSn12 cuboctahedra, and faces with eight equivalent SnSc4Sn8 cuboctahedra. There are four shorter (3.14 Å) and eight longer (3.36 Å) Sc–Sn bond lengths. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded to four equivalent Sc and eight Sn atoms to form distorted SnSc4Sn8 cuboctahedra that share corners with twelve equivalent SnSc4Sn8 cuboctahedra, edges with eight equivalent ScSn12 cuboctahedra, edges with eight equivalent SnSc4Sn8 cuboctahedra, faces with four equivalent ScSn12 cuboctahedra, and faces with ten equivalent SnSc4Sn8 cuboctahedra. There are four shorter (3.14 Å) and four longer (3.36 Å) Sn–Sn bond lengths. In the second Sn site, Sn is bonded in a square co-planar geometry to four equivalent Sc and eight equivalent Sn atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-981383
- 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; ScSn3; Sc-Sn
- OSTI Identifier:
- 1316339
- DOI:
- https://doi.org/10.17188/1316339
Citation Formats
The Materials Project. Materials Data on ScSn3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1316339.
The Materials Project. Materials Data on ScSn3 by Materials Project. United States. doi:https://doi.org/10.17188/1316339
The Materials Project. 2020.
"Materials Data on ScSn3 by Materials Project". United States. doi:https://doi.org/10.17188/1316339. https://www.osti.gov/servlets/purl/1316339. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1316339,
title = {Materials Data on ScSn3 by Materials Project},
author = {The Materials Project},
abstractNote = {ScSn3 is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sc is bonded to twelve Sn atoms to form ScSn12 cuboctahedra that share corners with four equivalent ScSn12 cuboctahedra, edges with eight equivalent ScSn12 cuboctahedra, edges with sixteen equivalent SnSc4Sn8 cuboctahedra, faces with four equivalent ScSn12 cuboctahedra, and faces with eight equivalent SnSc4Sn8 cuboctahedra. There are four shorter (3.14 Å) and eight longer (3.36 Å) Sc–Sn bond lengths. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded to four equivalent Sc and eight Sn atoms to form distorted SnSc4Sn8 cuboctahedra that share corners with twelve equivalent SnSc4Sn8 cuboctahedra, edges with eight equivalent ScSn12 cuboctahedra, edges with eight equivalent SnSc4Sn8 cuboctahedra, faces with four equivalent ScSn12 cuboctahedra, and faces with ten equivalent SnSc4Sn8 cuboctahedra. There are four shorter (3.14 Å) and four longer (3.36 Å) Sn–Sn bond lengths. In the second Sn site, Sn is bonded in a square co-planar geometry to four equivalent Sc and eight equivalent Sn atoms.},
doi = {10.17188/1316339},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Jul 23 00:00:00 EDT 2020},
month = {Thu Jul 23 00:00:00 EDT 2020}
}