Use of a high X-ray flux instrument for a mineral: X-ray powder diffraction pattern of CaMg(CO3)2

Abstract

The usefulness of a high X-ray flux instrument to improve the accuracy of a powder diffraction pattern is demonstrated. In this case, very weak reflections of a well-characterized and well-known natural mineral can be detected by an often-used X-ray rotating anode diffractometer. High purity natural dolomite, CaMg(CO₃)₂, for example, was used to produce a slightly more comprehensive indexed X-ray powder diffraction. The powder pattern obtained in this study was compared with that of the reported high quality PDF pattern (36-426, with “^*” mark) and that of a calculated pattern derived from single crystal structure data. A very weak 003 reflection at low angle and many weak reflections at high angles, not reported in the PDF pattern, were successfully identified using this high-power X-ray instrument. Unit cell parameters were determined to be a=4.8090±0.0001 Å and c=16.0182±0.0003 Å, which were in good agreement with the extant PDF pattern. Accuracy of the relative intensities between the measured and calculated patterns was apparently somewhat improved in this study, probably also attained through less preferred orientation and the higher purity of the sample used.