Materials Data on Cs12Sn2Sb6O by Materials Project
Cs12Sn2Sb6O crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 8-coordinate geometry to two equivalent Cs1+ and six equivalent Sb3- atoms. There are one shorter (3.89 Å) and one longer (3.90 Å) Cs–Cs bond lengths. There are two shorter (4.26 Å) and four longer (4.28 Å) Cs–Sb bond lengths. In the second Cs1+ site, Cs1+ is bonded in a distorted single-bond geometry to four equivalent Sb3- and one O2- atom. There are a spread of Cs–Sb bond distances ranging from 3.85–4.25 Å. The Cs–O bond length is 3.03 Å. Sn4+ is bonded in a trigonal planar geometry to three equivalent Sb3- atoms. All Sn–Sb bond lengths are 2.78 Å. Sb3- is bonded in a 11-coordinate geometry to ten Cs1+ and one Sn4+ atom. O2- is bonded in an octahedral geometry to six equivalent Cs1+ 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:
- 1687017
- Report Number(s):
- mp-1226335
- Country of Publication:
- United States
- Language:
- English
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