Materials Data on Na4CaSn6 by Materials Project
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.
- Research Organization:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Contributing Organization:
- MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- OSTI ID:
- 1274324
- Report Number(s):
- mp-568234
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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