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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on AcDy3 by Materials Project

AcDy3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ac is bonded to twelve Dy atoms to form AcDy12 cuboctahedra that share corners with four equivalent AcDy12 cuboctahedra, corners with eight equivalent DyAc4Dy8 cuboctahedra, edges with eight equivalent AcDy12 cuboctahedra, edges with sixteen equivalent DyAc4Dy8 cuboctahedra, faces with four equivalent AcDy12 cuboctahedra, and faces with fourteen DyAc4Dy8 cuboctahedra. There are eight shorter (3.65 Å) and four longer (3.68 Å) Ac–Dy bond lengths. There are two inequivalent Dy sites. In the first Dy site, Dy is bonded to four equivalent Ac and eight Dy atoms to form DyAc4Dy8 cuboctahedra that share corners with twelve equivalent DyAc4Dy8 cuboctahedra, edges with eight equivalent AcDy12 cuboctahedra, edges with sixteen DyAc4Dy8 cuboctahedra, faces with four equivalent AcDy12 cuboctahedra, and faces with fourteen DyAc4Dy8 cuboctahedra. There are four shorter (3.65 Å) and four longer (3.68 Å) Dy–Dy bond lengths. In the second Dy site, Dy is bonded to four equivalent Ac and eight equivalent Dy atoms to form DyAc4Dy8 cuboctahedra that share corners with four equivalent DyAc4Dy8 cuboctahedra, corners with eight equivalent AcDy12 cuboctahedra, edges with twenty-four DyAc4Dy8 cuboctahedra, faces with six equivalent AcDy12 cuboctahedra, and faces with twelve DyAc4Dy8 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ac3Dy by Materials Project

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.

36 MATERIALS SCIENCE↗