The 14N NQR spectrum and the crystal structure of Ba[Fe(CN) 5NO] · 3H 2O at room temperature

Abstract

The previously reported 14N NQR spectrum of the CN groups of Ba [Fe (CN) 5NO] · 3H 2O (BNP) was shown to also contain lines of Na 2 [Fe (CN) 5NO] · 2H 2O used in the preparation of BNP. The number of NQR lines and their relative intensities in BNP confirmed that it has a Pbcm instead of a Pca2 1 space group at 293 K as previously assumed. The three CN sites found in BNP at room temperature are increased to five below 233 K and to eight below 131 K as a result of phase transitions. The effect on the NQR lines of the axial CN group of the disorder of some water molecules in BNP is also discussed.