Materials Data on Ho3Mg by Materials Project
MgHo3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Mg is bonded to twelve equivalent Ho atoms to form MgHo12 cuboctahedra that share corners with six equivalent MgHo12 cuboctahedra, corners with twelve equivalent HoHo8Mg4 cuboctahedra, edges with eighteen equivalent HoHo8Mg4 cuboctahedra, faces with eight equivalent MgHo12 cuboctahedra, and faces with twelve equivalent HoHo8Mg4 cuboctahedra. There are six shorter (3.40 Å) and six longer (3.49 Å) Mg–Ho bond lengths. Ho is bonded to four equivalent Mg and eight equivalent Ho atoms to form HoHo8Mg4 cuboctahedra that share corners with four equivalent MgHo12 cuboctahedra, corners with fourteen equivalent HoHo8Mg4 cuboctahedra, edges with six equivalent MgHo12 cuboctahedra, edges with twelve equivalent HoHo8Mg4 cuboctahedra, faces with four equivalent MgHo12 cuboctahedra, and faces with sixteen equivalent HoHo8Mg4 cuboctahedra. There are a spread of Ho–Ho bond distances ranging from 3.43–3.55 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:
- 1314453
- Report Number(s):
- mp-974322
- Country of Publication:
- United States
- Language:
- English
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