Materials Data on Sr2ZnSb2 by Materials Project
Sr2ZnSb2 crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Sr2+ is bonded to six Sb3- atoms to form a mixture of distorted edge, corner, and face-sharing SrSb6 octahedra. The corner-sharing octahedra tilt angles range from 43–49°. There are three shorter (3.29 Å) and three longer (3.71 Å) Sr–Sb bond lengths. Zn2+ is bonded in a trigonal planar geometry to three equivalent Sb3- atoms. All Zn–Sb bond lengths are 2.71 Å. There are two inequivalent Sb3- sites. In the first Sb3- site, Sb3- is bonded in a 6-coordinate geometry to six equivalent Sr2+ atoms. In the second Sb3- site, Sb3- is bonded in a distorted trigonal planar geometry to six equivalent Sr2+ and three equivalent Zn2+ atoms.
- 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:
- 1738134
- Report Number(s):
- mp-1218373
- Country of Publication:
- United States
- Language:
- English
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