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Title: Materials Data on Na10YbSn12 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1192871· OSTI ID:1192871

Na10YbSn12 crystallizes in the cubic I-43m space group. The structure is three-dimensional. there are two inequivalent Na sites. In the first Na site, Na is bonded to four equivalent Sn atoms to form corner-sharing NaSn4 tetrahedra. All Na–Sn bond lengths are 3.24 Å. In the second Na site, Na is bonded in a 9-coordinate geometry to one Yb and nine equivalent Sn atoms. The Na–Yb bond length is 3.76 Å. There are three shorter (3.47 Å) and six longer (3.54 Å) Na–Sn bond lengths. Yb is bonded in a 12-coordinate geometry to four equivalent Na and twelve equivalent Sn atoms. All Yb–Sn bond lengths are 3.47 Å. Sn is bonded in a 9-coordinate geometry to five Na, one Yb, and three equivalent Sn atoms. There are one shorter (2.91 Å) and two longer (3.00 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:
1192871
Report Number(s):
mp-18062
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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