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Use of the Rietveld technique for estimating cation distributions
Author(s) -
Nord A. G.
Publication year - 1984
Publication title -
journal of applied crystallography
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.429
H-Index - 162
ISSN - 1600-5767
DOI - 10.1107/s0021889884011018
Subject(s) - rietveld refinement , neutron diffraction , crystallography , olivine , crystal structure , materials science , powder diffraction , neutron , chemistry , mineralogy , analytical chemistry (journal) , physics , nuclear physics , chromatography
The use of the Rietveld full‐profile refinement technique to estimate cation distributions is exemplified by a neutron powder diffraction study of the farringtonite‐type solid solution γ ‐(Zn 0.70 Fe 0.30 ) 3 (PO 4 ) 2 , with five‐ and six‐coordinated cation sites. A review of similar studies (neutron or Guinier–Hägg X‐ray data) of phases with the farringtonite, sarcopside, Ni 2 P 4 O 12 or olivine structure is given. The accuracy is discussed in terms of K D distribution coefficients and metal–oxygen distances. Some investigations of olivines based on X‐ray single‐crystal data are reviewed for comparison.