Materials Data on Ac3Dy by Materials Project

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

DOI:https://doi.org/10.17188/1652290· OSTI ID:1652290

Ac3Dy is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Ac sites. In the first Ac site, Ac is bonded to eight Ac and four equivalent Dy atoms to form AcAc8Dy4 cuboctahedra that share corners with twelve equivalent AcAc8Dy4 cuboctahedra, edges with eight equivalent DyAc12 cuboctahedra, edges with sixteen AcAc8Dy4 cuboctahedra, faces with four equivalent DyAc12 cuboctahedra, and faces with fourteen AcAc8Dy4 cuboctahedra. There are four shorter (3.89 Å) and four longer (3.90 Å) Ac–Ac bond lengths. All Ac–Dy bond lengths are 3.89 Å. In the second Ac site, Ac is bonded to eight equivalent Ac and four equivalent Dy atoms to form AcAc8Dy4 cuboctahedra that share corners with four equivalent AcAc8Dy4 cuboctahedra, corners with eight equivalent DyAc12 cuboctahedra, edges with twenty-four AcAc8Dy4 cuboctahedra, faces with six equivalent DyAc12 cuboctahedra, and faces with twelve AcAc8Dy4 cuboctahedra. All Ac–Dy bond lengths are 3.90 Å. Dy is bonded to twelve Ac atoms to form DyAc12 cuboctahedra that share corners with four equivalent DyAc12 cuboctahedra, corners with eight equivalent AcAc8Dy4 cuboctahedra, edges with eight equivalent DyAc12 cuboctahedra, edges with sixteen equivalent AcAc8Dy4 cuboctahedra, faces with four equivalent DyAc12 cuboctahedra, and faces with fourteen AcAc8Dy4 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: 1652290
• Report Number(s): mp-1183081
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Ac-Dy
Ac3Dy
crystal structure