X-ray Guinier powder profile refinement of Rb2NaHoF6at 17 K

Rietveld refinement of KLaTiO4 from X-ray powder data

Potassium lanthanum titanate(IV), KLaTiO(4), has been synthesized by conventional solid-state reaction. It crystallizes isotypically with the NaLnTiO(4) (Ln = La, Pr, Nd, Sm, Eu, Gd, Y and Lu) family. Five of the six atoms in the asymmetric unit (one K, one La, one Ti and two O atoms) are situated on sites with 4mm symmetry, whereas one O atom has 2mm. site symmetry. The crystal structure can b...

X-Ray Powder Diffraction Metrics

To compare sample data from x-ray diffraction a suitable metric is developed to evaluate the similarity (or dissimilarity) between samples and to compare it to a references. The methodology focuses on the d-lines and uses the intensity measurements indirectly in the algorithm. The resulting d-line distribution and summary statistics of the differences is used to establish whether a true differe...

Rietveld refinement of AgCa10(PO4)7 from X-ray powder data

Polycrystalline silver(I) deca-calcium heptakis(orthophos-phate), AgCa10(PO4)7, was obtained by solid-state reaction. It is isotopic with members of the series MCa10(PO4)7 (M = Li, Na, K and Cs), and is closely related to the structure of β-Ca3(PO4)2. The crystal structure of the title compound is built up from a framework of [CaO9] and two [CaO8] polyhedra, one [CaO6] octa-hedron (site symmetr...

Mapping databases of X-ray powder patterns

Automated parametric Rietveld refinement and its application to two- dimensional X-ray powder diffraction experiments