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DOE OSTI2020

Materials Data on AcLa3 by Materials Project

AcLa3 is Copper-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ac is bonded to twelve La atoms to form AcLa12 cuboctahedra that share corners with four equivalent AcLa12 cuboctahedra, corners with eight equivalent LaAc4La8 cuboctahedra, edges with eight equivalent AcLa12 cuboctahedra, edges with sixteen equivalent LaAc4La8 cuboctahedra, faces with four equivalent AcLa12 cuboctahedra, and faces with fourteen LaAc4La8 cuboctahedra. There are four shorter (3.80 Å) and eight longer (3.81 Å) Ac–La bond lengths. There are two inequivalent La sites. In the first La site, La is bonded to four equivalent Ac and eight La atoms to form LaAc4La8 cuboctahedra that share corners with twelve equivalent LaAc4La8 cuboctahedra, edges with eight equivalent AcLa12 cuboctahedra, edges with sixteen LaAc4La8 cuboctahedra, faces with four equivalent AcLa12 cuboctahedra, and faces with fourteen LaAc4La8 cuboctahedra. There are four shorter (3.80 Å) and four longer (3.81 Å) La–La bond lengths. In the second La site, La is bonded to four equivalent Ac and eight equivalent La atoms to form LaAc4La8 cuboctahedra that share corners with four equivalent LaAc4La8 cuboctahedra, corners with eight equivalent AcLa12 cuboctahedra, edges with twenty-four LaAc4La8 cuboctahedra, faces with six equivalent AcLa12 cuboctahedra, and faces with twelve LaAc4La8 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ac3La by Materials Project

Ac3La 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 La atoms to form AcAc8La4 cuboctahedra that share corners with four equivalent LaAc12 cuboctahedra, corners with fourteen equivalent AcAc8La4 cuboctahedra, edges with six equivalent LaAc12 cuboctahedra, edges with twelve equivalent AcAc8La4 cuboctahedra, faces with four equivalent LaAc12 cuboctahedra, and faces with sixteen equivalent AcAc8La4 cuboctahedra. There are a spread of Ac–Ac bond distances ranging from 3.93–3.99 Å. There are two shorter (3.92 Å) and two longer (3.96 Å) Ac–La bond lengths. La is bonded to twelve equivalent Ac atoms to form LaAc12 cuboctahedra that share corners with six equivalent LaAc12 cuboctahedra, corners with twelve equivalent AcAc8La4 cuboctahedra, edges with eighteen equivalent AcAc8La4 cuboctahedra, faces with eight equivalent LaAc12 cuboctahedra, and faces with twelve equivalent AcAc8La4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on AcLa by Materials Project

AcLa is Magnesium-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Ac is bonded to six equivalent Ac and six equivalent La atoms to form AcAc6La6 cuboctahedra that share corners with eighteen equivalent AcAc6La6 cuboctahedra, edges with six equivalent AcAc6La6 cuboctahedra, edges with twelve equivalent LaAc6La6 cuboctahedra, faces with eight equivalent AcAc6La6 cuboctahedra, and faces with twelve equivalent LaAc6La6 cuboctahedra. All Ac–Ac bond lengths are 3.93 Å. All Ac–La bond lengths are 3.87 Å. La is bonded to six equivalent Ac and six equivalent La atoms to form LaAc6La6 cuboctahedra that share corners with eighteen equivalent LaAc6La6 cuboctahedra, edges with six equivalent LaAc6La6 cuboctahedra, edges with twelve equivalent AcAc6La6 cuboctahedra, faces with eight equivalent LaAc6La6 cuboctahedra, and faces with twelve equivalent AcAc6La6 cuboctahedra. All La–La bond lengths are 3.93 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on AcLa3 by Materials Project

AcLa3 is Magnesium-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ac is bonded to twelve La atoms to form AcLa12 cuboctahedra that share corners with six equivalent AcLa12 cuboctahedra, corners with twelve LaAc4La8 cuboctahedra, edges with eighteen LaAc4La8 cuboctahedra, faces with eight equivalent AcLa12 cuboctahedra, and faces with twelve LaAc4La8 cuboctahedra. There are six shorter (3.82 Å) and six longer (3.85 Å) Ac–La bond lengths. There are two inequivalent La sites. In the first La site, La is bonded to four equivalent Ac and eight La atoms to form LaAc4La8 cuboctahedra that share corners with four equivalent AcLa12 cuboctahedra, corners with fourteen equivalent LaAc4La8 cuboctahedra, edges with six equivalent AcLa12 cuboctahedra, edges with twelve LaAc4La8 cuboctahedra, faces with four equivalent AcLa12 cuboctahedra, and faces with sixteen LaAc4La8 cuboctahedra. There are a spread of La–La bond distances ranging from 3.75–3.89 Å. In the second La site, La is bonded to four equivalent Ac and eight equivalent La atoms to form LaAc4La8 cuboctahedra that share corners with four equivalent AcLa12 cuboctahedra, corners with fourteen LaAc4La8 cuboctahedra, edges with six equivalent AcLa12 cuboctahedra, edges with twelve equivalent LaAc4La8 cuboctahedra, faces with four equivalent AcLa12 cuboctahedra, and faces with sixteen LaAc4La8 cuboctahedra.

36 MATERIALS SCIENCE↗