Materials Data on Na4CaSn6 by Materials Project
Abstract
Na4CaSn6 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Na sites. In the first Na site, Na is bonded in a 4-coordinate geometry to eight equivalent Sn atoms. There are four shorter (3.35 Å) and four longer (3.66 Å) Na–Sn bond lengths. In the second Na site, Na is bonded in a 6-coordinate geometry to six equivalent Sn atoms. All Na–Sn bond lengths are 3.27 Å. Ca is bonded in a 12-coordinate geometry to twelve equivalent Sn atoms. There are six shorter (3.34 Å) and six longer (3.63 Å) Ca–Sn bond lengths. Sn is bonded in a 10-coordinate geometry to five Na, two equivalent Ca, and three equivalent Sn atoms. There are two shorter (3.02 Å) and one longer (3.05 Å) Sn–Sn bond lengths.
- Authors:
- Publication Date:
- Other Number(s):
- mp-568234
- 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; Na4CaSn6; Ca-Na-Sn
- OSTI Identifier:
- 1274324
- DOI:
- https://doi.org/10.17188/1274324
Citation Formats
The Materials Project. Materials Data on Na4CaSn6 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1274324.
The Materials Project. Materials Data on Na4CaSn6 by Materials Project. United States. doi:https://doi.org/10.17188/1274324
The Materials Project. 2020.
"Materials Data on Na4CaSn6 by Materials Project". United States. doi:https://doi.org/10.17188/1274324. https://www.osti.gov/servlets/purl/1274324. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1274324,
title = {Materials Data on Na4CaSn6 by Materials Project},
author = {The Materials Project},
abstractNote = {Na4CaSn6 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Na sites. In the first Na site, Na is bonded in a 4-coordinate geometry to eight equivalent Sn atoms. There are four shorter (3.35 Å) and four longer (3.66 Å) Na–Sn bond lengths. In the second Na site, Na is bonded in a 6-coordinate geometry to six equivalent Sn atoms. All Na–Sn bond lengths are 3.27 Å. Ca is bonded in a 12-coordinate geometry to twelve equivalent Sn atoms. There are six shorter (3.34 Å) and six longer (3.63 Å) Ca–Sn bond lengths. Sn is bonded in a 10-coordinate geometry to five Na, two equivalent Ca, and three equivalent Sn atoms. There are two shorter (3.02 Å) and one longer (3.05 Å) Sn–Sn bond lengths.},
doi = {10.17188/1274324},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}