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Title: Materials Data on SmSiAg by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1313866· OSTI ID:1313866

SmAgSi crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Sm3+ is bonded to five Si4- atoms to form a mixture of distorted edge and corner-sharing SmSi5 square pyramids. There are one shorter (2.99 Å) and four longer (3.04 Å) Sm–Si bond lengths. Ag1+ is bonded in a 4-coordinate geometry to four Si4- atoms. There are two shorter (2.75 Å) and two longer (2.78 Å) Ag–Si bond lengths. There are two inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 9-coordinate geometry to six equivalent Sm3+ and three equivalent Ag1+ atoms. In the second Si4- site, Si4- is bonded in a 9-coordinate geometry to three equivalent Sm3+ and six equivalent Ag1+ 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:
1313866
Report Number(s):
mp-972524
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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