Materials Data on Dy(AlSi)2 by Materials Project
DyAl2Si2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Dy is bonded to six equivalent Si atoms to form distorted DySi6 octahedra that share corners with twelve equivalent AlSi4 tetrahedra, edges with six equivalent DySi6 octahedra, and edges with six equivalent AlSi4 tetrahedra. All Dy–Si bond lengths are 2.97 Å. Al is bonded to four equivalent Si atoms to form distorted AlSi4 tetrahedra that share corners with six equivalent DySi6 octahedra, corners with six equivalent AlSi4 tetrahedra, edges with three equivalent DySi6 octahedra, and edges with three equivalent AlSi4 tetrahedra. The corner-sharing octahedra tilt angles range from 21–55°. There are three shorter (2.51 Å) and one longer (2.53 Å) Al–Si bond lengths. Si is bonded to three equivalent Dy and four equivalent Al atoms to form a mixture of distorted corner and edge-sharing SiDy3Al4 pentagonal bipyramids.
- Research Organization:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Contributing Organization:
- MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- OSTI ID:
- 1286615
- Report Number(s):
- mp-7121
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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