Materials Data on CsK2AuO2 by Materials Project
CsK2AuO2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Cs1+ is bonded in a 2-coordinate geometry to two O2- atoms. There are one shorter (2.77 Å) and one longer (2.93 Å) Cs–O bond lengths. K1+ is bonded in a distorted see-saw-like geometry to four O2- atoms. There are a spread of K–O bond distances ranging from 2.77–2.88 Å. Au1+ is bonded in a distorted linear geometry to two O2- atoms. Both Au–O bond lengths are 2.04 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to one Cs1+, four equivalent K1+, and one Au1+ atom to form a mixture of distorted corner, edge, and face-sharing OCsK4Au octahedra. The corner-sharing octahedra tilt angles range from 1–59°. In the second O2- site, O2- is bonded to one Cs1+, four equivalent K1+, and one Au1+ atom to form a mixture of distorted corner, edge, and face-sharing OCsK4Au octahedra. The corner-sharing octahedra tilt angles range from 1–60°.
- 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:
- 1270023
- Report Number(s):
- mp-557807
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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