Materials Data on K3Pr by Materials Project
K3Pr is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. K is bonded to eight equivalent K and four equivalent Pr atoms to form distorted KK8Pr4 cuboctahedra that share corners with four equivalent PrK12 cuboctahedra, corners with fourteen equivalent KK8Pr4 cuboctahedra, edges with six equivalent PrK12 cuboctahedra, edges with twelve equivalent KK8Pr4 cuboctahedra, faces with four equivalent PrK12 cuboctahedra, and faces with sixteen equivalent KK8Pr4 cuboctahedra. There are a spread of K–K bond distances ranging from 4.23–4.45 Å. All K–Pr bond lengths are 4.34 Å. Pr is bonded to twelve equivalent K atoms to form PrK12 cuboctahedra that share corners with six equivalent PrK12 cuboctahedra, corners with twelve equivalent KK8Pr4 cuboctahedra, edges with eighteen equivalent KK8Pr4 cuboctahedra, faces with eight equivalent PrK12 cuboctahedra, and faces with twelve equivalent KK8Pr4 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:
- 1314898
- Report Number(s):
- mp-975872
- Country of Publication:
- United States
- Language:
- English
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