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Title: Materials Data on SmZn5 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1273854· OSTI ID:1273854

SmZn5 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Sm is bonded in a 6-coordinate geometry to eighteen Zn atoms. There are six shorter (3.09 Å) and twelve longer (3.42 Å) Sm–Zn bond lengths. There are two inequivalent Zn sites. In the first Zn site, Zn is bonded to four equivalent Sm and eight Zn atoms to form a mixture of edge, corner, and face-sharing ZnSm4Zn8 cuboctahedra. There are four shorter (2.63 Å) and four longer (2.67 Å) Zn–Zn bond lengths. In the second Zn site, Zn is bonded in a 12-coordinate geometry to three equivalent Sm and six equivalent Zn 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:
1273854
Report Number(s):
mp-567406
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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