Materials Data on Pr(AlGe)2 by Materials Project
Pr(AlGe)2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Pr is bonded to six equivalent Ge atoms to form distorted PrGe6 octahedra that share corners with twelve equivalent AlGe4 tetrahedra, edges with six equivalent PrGe6 octahedra, and edges with six equivalent AlGe4 tetrahedra. All Pr–Ge bond lengths are 3.12 Å. Al is bonded to four equivalent Ge atoms to form distorted AlGe4 tetrahedra that share corners with six equivalent PrGe6 octahedra, corners with six equivalent AlGe4 tetrahedra, edges with three equivalent PrGe6 octahedra, and edges with three equivalent AlGe4 tetrahedra. The corner-sharing octahedra tilt angles range from 23–53°. There are one shorter (2.56 Å) and three longer (2.58 Å) Al–Ge bond lengths. Ge is bonded to three equivalent Pr and four equivalent Al atoms to form a mixture of distorted corner and edge-sharing GePr3Al4 pentagonal bipyramids.
- 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:
- 1699695
- Report Number(s):
- mp-1207205
- Country of Publication:
- United States
- Language:
- English
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