The compositional screening of K‐Zn‐Sb ternary system aided by machine learning, rapid exploratory synthesis using KH salt‐like precursor and in situ powder X‐ray diffraction yielded a novel clathrate type XI K58Zn122Sb207. This clathrate consists of a 3D Zn‐Sb framework hosting K+ions inside polyhedral cages, some of which are reminiscent of known clathrate types while others are unique to this structure type. The complex non‐centrosymmetric structure in the tetragonal space group
The compositional screening of K‐Zn‐Sb ternary system aided by machine learning, rapid exploratory synthesis using KH salt‐like precursor and in situ powder X‐ray diffraction yielded a novel clathrate type XI K58Zn122Sb207. This clathrate consists of a 3D Zn‐Sb framework hosting K+ions inside polyhedral cages, some of which are reminiscent of known clathrate types while others are unique to this structure type. The complex non‐centrosymmetric structure in the tetragonal space group
- Award ID(s):
- 1944551
- NSF-PAR ID:
- 10237022
- Publisher / Repository:
- Wiley Blackwell (John Wiley & Sons)
- Date Published:
- Journal Name:
- Angewandte Chemie International Edition
- Volume:
- 60
- Issue:
- 1
- ISSN:
- 1433-7851
- Page Range / eLocation ID:
- p. 415-423
- Format(s):
- Medium: X
- Sponsoring Org:
- National Science Foundation
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