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Title: Materials Data on K3Sn by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1314158· OSTI ID:1314158

K3Sn is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent K sites. In the first K site, K is bonded to four equivalent K and four equivalent Sn atoms to form a mixture of distorted corner, edge, and face-sharing KK4Sn4 tetrahedra. All K–K bond lengths are 3.85 Å. All K–Sn bond lengths are 3.85 Å. In the second K site, K is bonded in a body-centered cubic geometry to eight equivalent K atoms. Sn is bonded in a body-centered cubic geometry to eight equivalent K atoms.

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:
1314158
Report Number(s):
mp-973614
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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