Materials Data on KAuF6 by Materials Project
KAuF6 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. K1+ is bonded to twelve equivalent F1- atoms to form KF12 cuboctahedra that share corners with six equivalent AuF6 octahedra, edges with six equivalent KF12 cuboctahedra, and faces with two equivalent AuF6 octahedra. The corner-sharing octahedral tilt angles are 36°. There are six shorter (2.98 Å) and six longer (3.00 Å) K–F bond lengths. Au5+ is bonded to six equivalent F1- atoms to form AuF6 octahedra that share corners with six equivalent KF12 cuboctahedra and faces with two equivalent KF12 cuboctahedra. All Au–F bond lengths are 1.95 Å. F1- is bonded in a distorted single-bond geometry to two equivalent K1+ and one Au5+ atom.
- 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:
- 1188796
- Report Number(s):
- mp-12442
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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