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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Ac3Th by Materials Project

ThAc3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Th is bonded to twelve equivalent Ac atoms to form ThAc12 cuboctahedra that share corners with six equivalent ThAc12 cuboctahedra, corners with twelve equivalent AcAc8Th4 cuboctahedra, edges with eighteen equivalent AcAc8Th4 cuboctahedra, faces with eight equivalent ThAc12 cuboctahedra, and faces with twelve equivalent AcAc8Th4 cuboctahedra. There are six shorter (3.85 Å) and six longer (3.89 Å) Th–Ac bond lengths. Ac is bonded to four equivalent Th and eight equivalent Ac atoms to form AcAc8Th4 cuboctahedra that share corners with four equivalent ThAc12 cuboctahedra, corners with fourteen equivalent AcAc8Th4 cuboctahedra, edges with six equivalent ThAc12 cuboctahedra, edges with twelve equivalent AcAc8Th4 cuboctahedra, faces with four equivalent ThAc12 cuboctahedra, and faces with sixteen equivalent AcAc8Th4 cuboctahedra. There are a spread of Ac–Ac bond distances ranging from 3.80–3.98 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on AcTh3 by Materials Project

Th3Ac is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are three inequivalent Th sites. In the first Th site, Th is bonded to eight Th and four equivalent Ac atoms to form ThAc4Th8 cuboctahedra that share corners with four equivalent AcTh12 cuboctahedra, corners with fourteen ThAc4Th8 cuboctahedra, edges with six equivalent AcTh12 cuboctahedra, edges with twelve ThAc4Th8 cuboctahedra, faces with four equivalent AcTh12 cuboctahedra, and faces with sixteen ThAc4Th8 cuboctahedra. There are a spread of Th–Th bond distances ranging from 3.54–3.78 Å. There are two shorter (3.66 Å) and two longer (3.72 Å) Th–Ac bond lengths. In the second Th site, Th is bonded to eight equivalent Th and four equivalent Ac atoms to form ThAc4Th8 cuboctahedra that share corners with four equivalent AcTh12 cuboctahedra, corners with fourteen ThAc4Th8 cuboctahedra, edges with six equivalent AcTh12 cuboctahedra, edges with twelve equivalent ThAc4Th8 cuboctahedra, faces with four equivalent AcTh12 cuboctahedra, and faces with sixteen ThAc4Th8 cuboctahedra. There are two shorter (3.66 Å) and two longer (3.72 Å) Th–Ac bond lengths. In the third Th site, Th is bonded to eight equivalent Th and four equivalent Ac atoms to form ThAc4Th8 cuboctahedra that share corners with four equivalent AcTh12 cuboctahedra, corners with fourteen ThAc4Th8 cuboctahedra, edges with six equivalent AcTh12 cuboctahedra, edges with twelve equivalent ThAc4Th8 cuboctahedra, faces with four equivalent AcTh12 cuboctahedra, and faces with sixteen ThAc4Th8 cuboctahedra. There are two shorter (3.66 Å) and two longer (3.72 Å) Th–Ac bond lengths. Ac is bonded to twelve Th atoms to form AcTh12 cuboctahedra that share corners with six equivalent AcTh12 cuboctahedra, corners with twelve ThAc4Th8 cuboctahedra, edges with eighteen ThAc4Th8 cuboctahedra, faces with eight equivalent AcTh12 cuboctahedra, and faces with twelve ThAc4Th8 cuboctahedra.

36 MATERIALS SCIENCE↗