Strukturen cäsiumhaltiger Fluoride, II1 Die Kristall- und Magnetische Struktur von CsFeF4 / Crystal and Magnetic Structure of CsFeF4

Abstract

The results of an X-ray structure determination on single crystals of CsFeF4 are reported. The compound crystallizes tetragonally with α = 7.794, c = 6.553 Å, z = 4, in spacegroup P4/nmm-D4h 7 and is a hitherto unknown superstructure variant of the TlAlF4-type. Cesium exhibits 12-coordination (mean value Cs-F = 3.25 Å); the FeF6-octahedra are characteristically shortened normal to the FeF4⁻-layers (Fe-F = 1.962/1.861Å). An improved model is proposed and verified for a related structure of RbFeF4, showing the same features. Neutron diffraction studies on powder samples of CsFeF4 show that both compounds are identical as for their magnetic structures.