Materials Data on K3BiO3 by Materials Project
K3BiO3 crystallizes in the cubic I-43m space group. The structure is three-dimensional. K1+ is bonded to five equivalent O2- atoms to form a mixture of distorted edge and corner-sharing KO5 square pyramids. There are a spread of K–O bond distances ranging from 2.72–2.91 Å. Bi3+ is bonded in a distorted trigonal non-coplanar geometry to three equivalent O2- atoms. All Bi–O bond lengths are 2.11 Å. O2- is bonded to five equivalent K1+ and one Bi3+ atom to form a mixture of distorted edge and corner-sharing OK5Bi octahedra. The corner-sharing octahedral tilt angles are 20°.
- 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:
- 1203990
- Report Number(s):
- mp-29524
- Country of Publication:
- United States
- Language:
- English
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