Materials Data on SmNi5 by Materials Project

Dataset · Tue Jul 18 00:00:00 EDT 2017

DOI:https://doi.org/10.17188/1187332· OSTI ID:1187332

The Materials Project

SmNi5 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Sm is bonded in a 6-coordinate geometry to eighteen Ni atoms. There are six shorter (2.84 Å) and twelve longer (3.16 Å) Sm–Ni bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 12-coordinate geometry to three equivalent Sm and six equivalent Ni atoms. All Ni–Ni bond lengths are 2.43 Å. In the second Ni site, Ni is bonded to four equivalent Sm and eight Ni atoms to form a mixture of edge, face, and corner-sharing NiSm4Ni8 cuboctahedra. All Ni–Ni bond lengths are 2.46 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: 1187332
• Report Number(s): mp-1075
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
SmNi5
Ni-Sm