U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Ca(AlSn)2 by Materials Project
Abstract
Ca(AlSn)2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Ca is bonded to six equivalent Sn atoms to form CaSn6 octahedra that share corners with twelve equivalent AlSn4 tetrahedra, edges with six equivalent CaSn6 octahedra, and edges with six equivalent AlSn4 tetrahedra. All Ca–Sn bond lengths are 3.25 Å. Al is bonded to four equivalent Sn atoms to form AlSn4 tetrahedra that share corners with six equivalent CaSn6 octahedra, corners with six equivalent AlSn4 tetrahedra, edges with three equivalent CaSn6 octahedra, and edges with three equivalent AlSn4 tetrahedra. The corner-sharing octahedra tilt angles range from 18–54°. There are three shorter (2.76 Å) and one longer (2.83 Å) Al–Sn bond lengths. Sn is bonded to three equivalent Ca and four equivalent Al atoms to form a mixture of distorted edge and corner-sharing SnCa3Al4 pentagonal bipyramids.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1147766
- 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; Ca(AlSn)2; Al-Ca-Sn
- OSTI Identifier:
- 1709580
- DOI:
- https://doi.org/10.17188/1709580
Citation Formats
The Materials Project. Materials Data on Ca(AlSn)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1709580.
The Materials Project. Materials Data on Ca(AlSn)2 by Materials Project. United States. doi:https://doi.org/10.17188/1709580
The Materials Project. 2020.
"Materials Data on Ca(AlSn)2 by Materials Project". United States. doi:https://doi.org/10.17188/1709580. https://www.osti.gov/servlets/purl/1709580. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1709580,
title = {Materials Data on Ca(AlSn)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Ca(AlSn)2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Ca is bonded to six equivalent Sn atoms to form CaSn6 octahedra that share corners with twelve equivalent AlSn4 tetrahedra, edges with six equivalent CaSn6 octahedra, and edges with six equivalent AlSn4 tetrahedra. All Ca–Sn bond lengths are 3.25 Å. Al is bonded to four equivalent Sn atoms to form AlSn4 tetrahedra that share corners with six equivalent CaSn6 octahedra, corners with six equivalent AlSn4 tetrahedra, edges with three equivalent CaSn6 octahedra, and edges with three equivalent AlSn4 tetrahedra. The corner-sharing octahedra tilt angles range from 18–54°. There are three shorter (2.76 Å) and one longer (2.83 Å) Al–Sn bond lengths. Sn is bonded to three equivalent Ca and four equivalent Al atoms to form a mixture of distorted edge and corner-sharing SnCa3Al4 pentagonal bipyramids.},
doi = {10.17188/1709580},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sun May 03 00:00:00 EDT 2020},
month = {Sun May 03 00:00:00 EDT 2020}
}