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Title: Materials Data on Y3(AgSn)4 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1713767· OSTI ID:1713767

Y3(AgSn)4 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Y sites. In the first Y site, Y is bonded in a 12-coordinate geometry to six equivalent Ag and six Sn atoms. There are four shorter (3.28 Å) and two longer (3.40 Å) Y–Ag bond lengths. There are two shorter (3.34 Å) and four longer (3.35 Å) Y–Sn bond lengths. In the second Y site, Y is bonded to eight equivalent Ag and six Sn atoms to form face-sharing YAg8Sn6 octahedra. All Y–Ag bond lengths are 3.79 Å. There are four shorter (3.22 Å) and two longer (3.28 Å) Y–Sn bond lengths. Ag is bonded in a 12-coordinate geometry to five Y, three equivalent Ag, and four Sn atoms. There are one shorter (2.92 Å) and two longer (3.42 Å) Ag–Ag bond lengths. There are a spread of Ag–Sn bond distances ranging from 2.74–2.84 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 9-coordinate geometry to three Y and six equivalent Ag atoms. In the second Sn site, Sn is bonded in a 9-coordinate geometry to six Y, two equivalent Ag, and one Sn atom. The Sn–Sn bond length is 2.89 Å.

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:
1713767
Report Number(s):
mp-1205493
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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