Materials Data on Nd(AlGe)2 by Materials Project
NdAl2Ge2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Nd is bonded to six equivalent Ge atoms to form distorted NdGe6 octahedra that share corners with twelve equivalent AlGe4 tetrahedra, edges with six equivalent NdGe6 octahedra, and edges with six equivalent AlGe4 tetrahedra. All Nd–Ge bond lengths are 3.09 Å. Al is bonded to four equivalent Ge atoms to form distorted AlGe4 tetrahedra that share corners with six equivalent NdGe6 octahedra, corners with six equivalent AlGe4 tetrahedra, edges with three equivalent NdGe6 octahedra, and edges with three equivalent AlGe4 tetrahedra. The corner-sharing octahedra tilt angles range from 22–54°. All Al–Ge bond lengths are 2.57 Å. Ge is bonded to three equivalent Nd and four equivalent Al atoms to form a mixture of distorted edge and corner-sharing GeNd3Al4 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:
- 1187211
- Report Number(s):
- mp-10581
- Country of Publication:
- United States
- Language:
- English
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