U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Na3Sn by Materials Project
Abstract
Na3Sn is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Na sites. In the first Na site, Na is bonded to four equivalent Na and four equivalent Sn atoms to form distorted NaNa4Sn4 cuboctahedra that share corners with eight equivalent SnNa12 cuboctahedra, corners with sixteen NaNa4Sn4 cuboctahedra, edges with four equivalent SnNa12 cuboctahedra, edges with sixteen NaNa4Sn4 cuboctahedra, and faces with six equivalent NaNa4Sn4 cuboctahedra. All Na–Na bond lengths are 3.42 Å. All Na–Sn bond lengths are 3.42 Å. In the second Na site, Na is bonded to eight equivalent Na and four equivalent Sn atoms to form distorted NaNa8Sn4 cuboctahedra that share corners with eight equivalent SnNa12 cuboctahedra, corners with twenty NaNa4Sn4 cuboctahedra, edges with sixteen NaNa4Sn4 cuboctahedra, faces with four equivalent NaNa8Sn4 cuboctahedra, and faces with six equivalent SnNa12 cuboctahedra. All Na–Sn bond lengths are 3.46 Å. Sn is bonded to twelve Na atoms to form SnNa12 cuboctahedra that share corners with four equivalent SnNa12 cuboctahedra, corners with twenty-four NaNa4Sn4 cuboctahedra, edges with eight equivalent NaNa4Sn4 cuboctahedra, edges with eight equivalent SnNa12 cuboctahedra, faces with four equivalent SnNa12 cuboctahedra, and faces with six equivalent NaNa8Sn4 cuboctahedra.
- Authors:
- Publication Date:
- Other Number(s):
- mp-864742
- 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; Na3Sn; Na-Sn
- OSTI Identifier:
- 1310116
- DOI:
- https://doi.org/10.17188/1310116
Citation Formats
The Materials Project. Materials Data on Na3Sn by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1310116.
The Materials Project. Materials Data on Na3Sn by Materials Project. United States. doi:https://doi.org/10.17188/1310116
The Materials Project. 2020.
"Materials Data on Na3Sn by Materials Project". United States. doi:https://doi.org/10.17188/1310116. https://www.osti.gov/servlets/purl/1310116. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1310116,
title = {Materials Data on Na3Sn by Materials Project},
author = {The Materials Project},
abstractNote = {Na3Sn is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Na sites. In the first Na site, Na is bonded to four equivalent Na and four equivalent Sn atoms to form distorted NaNa4Sn4 cuboctahedra that share corners with eight equivalent SnNa12 cuboctahedra, corners with sixteen NaNa4Sn4 cuboctahedra, edges with four equivalent SnNa12 cuboctahedra, edges with sixteen NaNa4Sn4 cuboctahedra, and faces with six equivalent NaNa4Sn4 cuboctahedra. All Na–Na bond lengths are 3.42 Å. All Na–Sn bond lengths are 3.42 Å. In the second Na site, Na is bonded to eight equivalent Na and four equivalent Sn atoms to form distorted NaNa8Sn4 cuboctahedra that share corners with eight equivalent SnNa12 cuboctahedra, corners with twenty NaNa4Sn4 cuboctahedra, edges with sixteen NaNa4Sn4 cuboctahedra, faces with four equivalent NaNa8Sn4 cuboctahedra, and faces with six equivalent SnNa12 cuboctahedra. All Na–Sn bond lengths are 3.46 Å. Sn is bonded to twelve Na atoms to form SnNa12 cuboctahedra that share corners with four equivalent SnNa12 cuboctahedra, corners with twenty-four NaNa4Sn4 cuboctahedra, edges with eight equivalent NaNa4Sn4 cuboctahedra, edges with eight equivalent SnNa12 cuboctahedra, faces with four equivalent SnNa12 cuboctahedra, and faces with six equivalent NaNa8Sn4 cuboctahedra.},
doi = {10.17188/1310116},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}