Materials Data on Sr(MgBi)2 by Materials Project
Bi2Mg2Sr crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Sr is bonded to six equivalent Bi atoms to form SrBi6 octahedra that share corners with twelve equivalent MgBi4 tetrahedra, edges with six equivalent SrBi6 octahedra, and edges with six equivalent MgBi4 tetrahedra. All Sr–Bi bond lengths are 3.47 Å. Mg is bonded to four equivalent Bi atoms to form MgBi4 tetrahedra that share corners with six equivalent SrBi6 octahedra, corners with six equivalent MgBi4 tetrahedra, edges with three equivalent SrBi6 octahedra, and edges with three equivalent MgBi4 tetrahedra. The corner-sharing octahedra tilt angles range from 17–54°. There are three shorter (2.98 Å) and one longer (2.99 Å) Mg–Bi bond lengths. Bi is bonded to three equivalent Sr and four equivalent Mg atoms to form a mixture of distorted edge and corner-sharing BiSr3Mg4 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:
- 1664783
- Report Number(s):
- mp-1069695
- Country of Publication:
- United States
- Language:
- English
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