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.
- Research Organization:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Contributing Organization:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231
- OSTI ID:
- 1654333
- Report Number(s):
- mp-1185525
- Country of Publication:
- United States
- Language:
- English
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