X-Ray Diffraction, Crystal Structure Analysis, and the High-Speed Computer

Abstract

Ana1:Chim. Acta 23, 428-33 (1960). ' (128) Semin'ko, V. A,,, Trudy Khar'kov. Farm. Inst. 1957, No. 1, 158-9.

Physicochemical characterization of metal organic framework materials: A mini review

“…Both techniques have been used for structural analysis of materials. A high-resolution PXRD in combination with computational analysis is widely used to determine MOF structures [ 37 , 38 ]. It should be noted that the selection of a helpful XRD technique to determine structures depends on the crystal size of the MOF and the quality of its morphology.…”

“…In addition, PXRD can measure defects in the texture or strain of crystals and identify mineral phases; however, PXRD only offers the average information of a bulk number of grains or crystallites targeted by the X-ray beam [ 37 ]. Furthermore, the average crystal size of small crystalline particles (<100 nm) can be determined via the Scherrer equation.…”

X-Ray Diffraction

“…The first part is devoted to the more general applications of x-ray diffraction, while the second part emphasizes current interests in the field of structural determinations. Earlier reviews in this series (33,48,50,51,52,53,75) give excellent discussions on such subjects as the training of chemical crystallographers, the relationship of x-ray diffraction to the various fields of science, and the history and fundamental principles of x-ray methods for the determination of molecular structure.…”