Materials Data on SmSi2 by Materials Project

Dataset · Thu Jul 16 00:00:00 EDT 2020

DOI:https://doi.org/10.17188/1189839· OSTI ID:1189839

The Materials Project

SmSi2 is hexagonal omega structure-like structured and crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Sm is bonded to twelve equivalent Si atoms to form a mixture of edge and face-sharing SmSi12 cuboctahedra. There are eight shorter (3.14 Å) and four longer (3.16 Å) Sm–Si bond lengths. Si is bonded in a 9-coordinate geometry to six equivalent Sm and three equivalent Si atoms. There are two shorter (2.38 Å) and one longer (2.40 Å) Si–Si bond lengths.

• 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: 1189839
• Report Number(s): mp-13955
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
SmSi2
Si-Sm