Special Issue "Crystal Structure Characterization by Powder Diffraction"
Deadline for manuscript submissions: closed (31 December 2019).
Interests: crystal structure solution; powder diffraction; direct methods; real space methods; indexing; space group determination; rietveld refinement; X-ray data collection
The role of powder diffraction has surprisingly increased in the last twenty-five years, and enhancements have been realized both in its earlier fields of application (e.g., qualitative analysis) and in more challenging objectives (e.g., structure solution).
In particular, microcrystalline materials of remarkable scientific and technological interest, which in the past have been unapproachable because they have not been available in the adequate form of single crystal, are nowadays widely investigated for finding out their atomic structure. The progress of the structure solution by powder diffraction data, which is well supported by the power of modern computer programs, concerns theoretical aspects, as well as applicative results.
We invite contribute of papers that, while discussing the followed computational, methodological, and/or experimental strategies, point out the essential and advanced contribution of powder diffraction in identifying the unknown crystal structure of a compound.
Potential topics include but are not limited to unit cell and space group identification; structure solution methods (reciprocal space and direct space); the Rietveld refinement method; qualitative analysis; quantitative analysis; and the crystal structure determination of organic, inorganic, and metallorganic compounds for chemistry, pharmaceutics, mineralogy, archeometry, forensic science, etc.
Dr. Angela Altomare
Dr. Rosanna Rizzi
Manuscript Submission Information
Manuscripts should be submitted online at www.mdpi.com by registering and logging in to this website. Once you are registered, click here to go to the submission form. Manuscripts can be submitted until the deadline. All papers will be peer-reviewed. Accepted papers will be published continuously in the journal (as soon as accepted) and will be listed together on the special issue website. Research articles, review articles as well as short communications are invited. For planned papers, a title and short abstract (about 100 words) can be sent to the Editorial Office for announcement on this website.
Submitted manuscripts should not have been published previously, nor be under consideration for publication elsewhere (except conference proceedings papers). All manuscripts are thoroughly refereed through a single-blind peer-review process. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page. Crystals is an international peer-reviewed open access monthly journal published by MDPI.
Please visit the Instructions for Authors page before submitting a manuscript. The Article Processing Charge (APC) for publication in this open access journal is 1800 CHF (Swiss Francs). Submitted papers should be well formatted and use good English. Authors may use MDPI's English editing service prior to publication or during author revisions.
- Structure solution methods
- Qualitative analysis
- Quantitative analysis
- Structure refinement
- Structure determination