Materials Data on KBiF4 by Materials Project
KBiF4 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. K1+ is bonded in a body-centered cubic geometry to eight F1- atoms. There are two shorter (2.56 Å) and six longer (2.80 Å) K–F bond lengths. Bi3+ is bonded in a distorted body-centered cubic geometry to eight F1- atoms. There are six shorter (2.37 Å) and two longer (2.56 Å) Bi–F bond lengths. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded to four equivalent K1+ atoms to form FK4 tetrahedra that share corners with sixteen FK4 tetrahedra and edges with six equivalent FK2Bi2 tetrahedra. In the second F1- site, F1- is bonded to two equivalent K1+ and two equivalent Bi3+ atoms to form a mixture of distorted corner and edge-sharing FK2Bi2 tetrahedra. In the third F1- site, F1- is bonded to four equivalent Bi3+ atoms to form a mixture of distorted corner and edge-sharing FBi4 tetrahedra.
- 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:
- 1276905
- Report Number(s):
- mp-581857
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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