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Title: Materials Data on SmHf by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1747156· OSTI ID:1747156

SmHf crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Sm is bonded to six equivalent Sm and six equivalent Hf atoms to form SmSm6Hf6 cuboctahedra that share corners with eighteen equivalent SmSm6Hf6 cuboctahedra, edges with six equivalent SmSm6Hf6 cuboctahedra, edges with twelve equivalent HfSm6Hf6 cuboctahedra, faces with eight equivalent SmSm6Hf6 cuboctahedra, and faces with twelve equivalent HfSm6Hf6 cuboctahedra. All Sm–Sm bond lengths are 3.38 Å. All Sm–Hf bond lengths are 3.37 Å. Hf is bonded to six equivalent Sm and six equivalent Hf atoms to form HfSm6Hf6 cuboctahedra that share corners with eighteen equivalent HfSm6Hf6 cuboctahedra, edges with six equivalent HfSm6Hf6 cuboctahedra, edges with twelve equivalent SmSm6Hf6 cuboctahedra, faces with eight equivalent HfSm6Hf6 cuboctahedra, and faces with twelve equivalent SmSm6Hf6 cuboctahedra. All Hf–Hf bond lengths are 3.38 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:
1747156
Report Number(s):
mp-1187011
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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