In-situhigh-pressure powder X-ray diffraction study of α-zirconium phosphate

In-situ high-pressure powder X-ray diffraction study of α-zirconium phosphate.

The high-pressure structural chemistry of α-zirconium phosphate, α-Zr(HPO4)2·H2O, was studied using in-situ high-pressure diffraction and synchrotron radiation. The layered phosphate was studied under both hydrostatic and non-hydrostatic conditions and Rietveld refinement carried out on the resulting diffraction patterns. It was found that under hydrostatic conditions no uptake of additional wa...

High-pressure X-ray diffraction study on α-PbF2

The high-pressure behaviour of α-PbF2 has been investigated by angular-dispersive synchrotron X-ray powder diffraction up to 6.55(8) GPa. The fit of a 3-order BirchMurnaghan equation-of-state gave the volume at zero pressure V0=194.14(4) Å 3 and the bulk modulus b0=47.0(6) GPa with the pressure derivative b’=7.9(4). The continuous-symmetry-measure approach has been used for the quantification o...

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...

Two-dimensional X-ray powder diffraction

X-ray powder diffraction on proteins

Macromolecular structures are traditionally determined by means of single crystal X ray diffraction from protein crystals of micrometer dimensions. Nevertheless, the growth of good quality single crystals can be very difficult or even impossible, especially in cases of large proteins, membrane proteins or protein complexes. Modern developments of X-ray powder diffraction have allowed the struct...