Materials Data on Sr(ZnSb)2 by Materials Project
SrZn2Sb2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Sr2+ is bonded to six equivalent Sb3- atoms to form SrSb6 octahedra that share corners with twelve equivalent ZnSb4 tetrahedra, edges with six equivalent SrSb6 octahedra, and edges with six equivalent ZnSb4 tetrahedra. All Sr–Sb bond lengths are 3.37 Å. Zn2+ is bonded to four equivalent Sb3- atoms to form ZnSb4 tetrahedra that share corners with six equivalent SrSb6 octahedra, corners with six equivalent ZnSb4 tetrahedra, edges with three equivalent SrSb6 octahedra, and edges with three equivalent ZnSb4 tetrahedra. The corner-sharing octahedra tilt angles range from 23–51°. There are three shorter (2.74 Å) and one longer (2.83 Å) Zn–Sb bond lengths. Sb3- is bonded to three equivalent Sr2+ and four equivalent Zn2+ atoms to form a mixture of distorted edge and corner-sharing SbSr3Zn4 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:
- 1287971
- Report Number(s):
- mp-7431
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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