Materials Data on PrHo3 by Materials Project
Ho3Pr is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded to eight Ho and four equivalent Pr atoms to form HoPr4Ho8 cuboctahedra that share corners with four equivalent PrHo12 cuboctahedra, corners with fourteen HoPr4Ho8 cuboctahedra, edges with six equivalent PrHo12 cuboctahedra, edges with twelve HoPr4Ho8 cuboctahedra, faces with four equivalent PrHo12 cuboctahedra, and faces with sixteen HoPr4Ho8 cuboctahedra. There are a spread of Ho–Ho bond distances ranging from 3.53–3.68 Å. There are two shorter (3.56 Å) and two longer (3.63 Å) Ho–Pr bond lengths. In the second Ho site, Ho is bonded to eight equivalent Ho and four equivalent Pr atoms to form HoPr4Ho8 cuboctahedra that share corners with four equivalent PrHo12 cuboctahedra, corners with fourteen HoPr4Ho8 cuboctahedra, edges with six equivalent PrHo12 cuboctahedra, edges with twelve equivalent HoPr4Ho8 cuboctahedra, faces with four equivalent PrHo12 cuboctahedra, and faces with sixteen HoPr4Ho8 cuboctahedra. There are two shorter (3.56 Å) and two longer (3.63 Å) Ho–Pr bond lengths. Pr is bonded to twelve Ho atoms to form PrHo12 cuboctahedra that share corners with six equivalent PrHo12 cuboctahedra, corners with twelve HoPr4Ho8 cuboctahedra, edges with eighteen HoPr4Ho8 cuboctahedra, faces with eight equivalent PrHo12 cuboctahedra, and faces with twelve HoPr4Ho8 cuboctahedra.
- 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:
- 1314866
- Report Number(s):
- mp-975658
- Country of Publication:
- United States
- Language:
- English
Similar Records
Materials Data on Pr3Ho by Materials Project
Materials Data on PmHo3 by Materials Project
Materials Data on NdHo3 by Materials Project
Dataset
·
Thu Sep 03 00:00:00 EDT 2020
·
OSTI ID:1758186
Materials Data on PmHo3 by Materials Project
Dataset
·
Mon Jul 20 00:00:00 EDT 2020
·
OSTI ID:1281949
Materials Data on NdHo3 by Materials Project
Dataset
·
Wed Jul 22 00:00:00 EDT 2020
·
OSTI ID:1314190