Materials Data on Sr(ZnSn)2 by Materials Project
SrZn2Sn2 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Sr is bonded in a 4-coordinate geometry to eight Zn and eight Sn atoms. There are a spread of Sr–Zn bond distances ranging from 3.53–3.78 Å. There are a spread of Sr–Sn bond distances ranging from 3.51–3.77 Å. There are two inequivalent Zn sites. In the first Zn site, Zn is bonded in a 9-coordinate geometry to four equivalent Sr and five Sn atoms. There are a spread of Zn–Sn bond distances ranging from 2.65–2.85 Å. In the second Zn site, Zn is bonded in a 4-coordinate geometry to four equivalent Sr and four equivalent Sn atoms. There are a spread of Zn–Sn bond distances ranging from 2.75–2.81 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 9-coordinate geometry to four equivalent Sr and five Zn atoms. In the second Sn site, Sn is bonded to four equivalent Sr and four equivalent Zn atoms to form a mixture of distorted edge and face-sharing SnSr4Zn4 tetrahedra.
- 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:
- 1720691
- Report Number(s):
- mp-1080049
- Country of Publication:
- United States
- Language:
- English
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