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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Lu3Th by Materials Project

ThLu3 is alpha La-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Th is bonded to twelve Lu atoms to form ThLu12 cuboctahedra that share corners with four equivalent ThLu12 cuboctahedra, corners with eight equivalent LuLu8Th4 cuboctahedra, edges with eight equivalent ThLu12 cuboctahedra, edges with sixteen equivalent LuLu8Th4 cuboctahedra, faces with four equivalent ThLu12 cuboctahedra, and faces with fourteen LuLu8Th4 cuboctahedra. There are eight shorter (3.49 Å) and four longer (3.53 Å) Th–Lu bond lengths. There are two inequivalent Lu sites. In the first Lu site, Lu is bonded to four equivalent Th and eight Lu atoms to form LuLu8Th4 cuboctahedra that share corners with twelve equivalent LuLu8Th4 cuboctahedra, edges with eight equivalent ThLu12 cuboctahedra, edges with sixteen LuLu8Th4 cuboctahedra, faces with four equivalent ThLu12 cuboctahedra, and faces with fourteen LuLu8Th4 cuboctahedra. There are four shorter (3.49 Å) and four longer (3.53 Å) Lu–Lu bond lengths. In the second Lu site, Lu is bonded to four equivalent Th and eight equivalent Lu atoms to form LuLu8Th4 cuboctahedra that share corners with four equivalent LuLu8Th4 cuboctahedra, corners with eight equivalent ThLu12 cuboctahedra, edges with twenty-four LuLu8Th4 cuboctahedra, faces with six equivalent ThLu12 cuboctahedra, and faces with twelve LuLu8Th4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LuTh3 by Materials Project

Th3Lu is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Th is bonded to eight equivalent Th and four equivalent Lu atoms to form ThLu4Th8 cuboctahedra that share corners with twelve equivalent ThLu4Th8 cuboctahedra, edges with eight equivalent LuTh12 cuboctahedra, edges with sixteen equivalent ThLu4Th8 cuboctahedra, faces with four equivalent LuTh12 cuboctahedra, and faces with fourteen equivalent ThLu4Th8 cuboctahedra. All Th–Th bond lengths are 3.56 Å. All Th–Lu bond lengths are 3.56 Å. Lu is bonded to twelve equivalent Th atoms to form LuTh12 cuboctahedra that share corners with twelve equivalent LuTh12 cuboctahedra, edges with twenty-four equivalent ThLu4Th8 cuboctahedra, faces with six equivalent LuTh12 cuboctahedra, and faces with twelve equivalent ThLu4Th8 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Lu3Th by Materials Project

ThLu3 is Magnesium-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Th is bonded to twelve equivalent Lu atoms to form ThLu12 cuboctahedra that share corners with six equivalent ThLu12 cuboctahedra, corners with twelve equivalent LuLu8Th4 cuboctahedra, edges with eighteen equivalent LuLu8Th4 cuboctahedra, faces with eight equivalent ThLu12 cuboctahedra, and faces with twelve equivalent LuLu8Th4 cuboctahedra. There are six shorter (3.50 Å) and six longer (3.52 Å) Th–Lu bond lengths. Lu is bonded to four equivalent Th and eight equivalent Lu atoms to form LuLu8Th4 cuboctahedra that share corners with four equivalent ThLu12 cuboctahedra, corners with fourteen equivalent LuLu8Th4 cuboctahedra, edges with six equivalent ThLu12 cuboctahedra, edges with twelve equivalent LuLu8Th4 cuboctahedra, faces with four equivalent ThLu12 cuboctahedra, and faces with sixteen equivalent LuLu8Th4 cuboctahedra. There are a spread of Lu–Lu bond distances ranging from 3.49–3.53 Å.

36 MATERIALS SCIENCE↗