J. Kuriata et al., SUPERPOSITION MODEL ANALYSIS OF CR3-SULFATE DIHYDRATE( IN SODIUM AMMONIUM), Journal of physics. Condensed matter, 10(2), 1998, pp. 407-415
This paper discusses the application of the superposition model of New
man to studies of local distortions around Cr3+ ions doped into sodium
ammonium sulphate dihydrate. It is shown that local distortions and a
model for the charge compensation mechanism can be derived from the s
tandard use of the superposition model for two of the sites observed (
beta and beta'). The calculations were carried out for the spin Hamilt
onian parameters measured at temperatures both above and below the pha
se transition detected at 95 +/- 0.5 K. It is shown that the phase tra
nsition induces a substantial decrease in the metal-ligand distance in
CrO6 octahedra.