Materials Data on AcSm3 by Materials Project

Dataset · Thu Jul 23 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1653216· OSTI ID:1653216

AcSm3 is alpha La-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ac is bonded to twelve Sm atoms to form AcSm12 cuboctahedra that share corners with four equivalent AcSm12 cuboctahedra, corners with eight equivalent SmAc4Sm8 cuboctahedra, edges with eight equivalent AcSm12 cuboctahedra, edges with sixteen equivalent SmAc4Sm8 cuboctahedra, faces with four equivalent AcSm12 cuboctahedra, and faces with fourteen SmAc4Sm8 cuboctahedra. There are four shorter (3.71 Å) and eight longer (3.72 Å) Ac–Sm bond lengths. There are two inequivalent Sm sites. In the first Sm site, Sm is bonded to four equivalent Ac and eight Sm atoms to form SmAc4Sm8 cuboctahedra that share corners with twelve equivalent SmAc4Sm8 cuboctahedra, edges with eight equivalent AcSm12 cuboctahedra, edges with sixteen SmAc4Sm8 cuboctahedra, faces with four equivalent AcSm12 cuboctahedra, and faces with fourteen SmAc4Sm8 cuboctahedra. There are four shorter (3.71 Å) and four longer (3.72 Å) Sm–Sm bond lengths. In the second Sm site, Sm is bonded to four equivalent Ac and eight equivalent Sm atoms to form SmAc4Sm8 cuboctahedra that share corners with four equivalent SmAc4Sm8 cuboctahedra, corners with eight equivalent AcSm12 cuboctahedra, edges with twenty-four SmAc4Sm8 cuboctahedra, faces with six equivalent AcSm12 cuboctahedra, and faces with twelve SmAc4Sm8 cuboctahedra.

• Research Organization: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
• Sponsoring Organization: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
• Contributing Organization: The Materials Project; MIT; UC Berkeley; Duke; U Louvain
• DOE Contract Number: AC02-05CH11231
• OSTI ID: 1653216
• Report Number(s): mp-1183230
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Ac-Sm
AcSm3
crystal structure