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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Ac3Tb by Materials Project

Ac3Tb is Magnesium-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ac is bonded to eight equivalent Ac and four equivalent Tb atoms to form AcAc8Tb4 cuboctahedra that share corners with four equivalent TbAc12 cuboctahedra, corners with fourteen equivalent AcAc8Tb4 cuboctahedra, edges with six equivalent TbAc12 cuboctahedra, edges with twelve equivalent AcAc8Tb4 cuboctahedra, faces with four equivalent TbAc12 cuboctahedra, and faces with sixteen equivalent AcAc8Tb4 cuboctahedra. There are a spread of Ac–Ac bond distances ranging from 3.84–3.97 Å. There are two shorter (3.88 Å) and two longer (3.91 Å) Ac–Tb bond lengths. Tb is bonded to twelve equivalent Ac atoms to form TbAc12 cuboctahedra that share corners with six equivalent TbAc12 cuboctahedra, corners with twelve equivalent AcAc8Tb4 cuboctahedra, edges with eighteen equivalent AcAc8Tb4 cuboctahedra, faces with eight equivalent TbAc12 cuboctahedra, and faces with twelve equivalent AcAc8Tb4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on AcTb3 by Materials Project

AcTb3 is Copper-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ac is bonded to twelve Tb atoms to form AcTb12 cuboctahedra that share corners with four equivalent AcTb12 cuboctahedra, corners with eight equivalent TbAc4Tb8 cuboctahedra, edges with eight equivalent AcTb12 cuboctahedra, edges with sixteen equivalent TbAc4Tb8 cuboctahedra, faces with four equivalent AcTb12 cuboctahedra, and faces with fourteen TbAc4Tb8 cuboctahedra. There are eight shorter (3.67 Å) and four longer (3.68 Å) Ac–Tb bond lengths. There are two inequivalent Tb sites. In the first Tb site, Tb is bonded to four equivalent Ac and eight Tb atoms to form TbAc4Tb8 cuboctahedra that share corners with twelve equivalent TbAc4Tb8 cuboctahedra, edges with eight equivalent AcTb12 cuboctahedra, edges with sixteen TbAc4Tb8 cuboctahedra, faces with four equivalent AcTb12 cuboctahedra, and faces with fourteen TbAc4Tb8 cuboctahedra. There are four shorter (3.67 Å) and four longer (3.68 Å) Tb–Tb bond lengths. In the second Tb site, Tb is bonded to four equivalent Ac and eight equivalent Tb atoms to form TbAc4Tb8 cuboctahedra that share corners with four equivalent TbAc4Tb8 cuboctahedra, corners with eight equivalent AcTb12 cuboctahedra, edges with twenty-four TbAc4Tb8 cuboctahedra, faces with six equivalent AcTb12 cuboctahedra, and faces with twelve TbAc4Tb8 cuboctahedra.

36 MATERIALS SCIENCE↗