Solving structures from powder diffraction data

Solving structures from powder diffraction data

Properties of materials are directly related to their crystal structure. Traditionally crystal structures are solved using single crystal X-ray diffraction.
However, many materials are only available as powders. The first structure solved from powder diffraction data was LiSbWO6 [Le Bail et al., 1988].
Since then, structure solution from powder data has developed into an established technique suitable for any crystalline material. The two key
components for a successful structure solution from powder data are excellent data quality and proven optimized algorithms for data analysis.

PANalytical’s instrument portfolio supports a variety of measurement geometries from standard Bragg-Brentano (suitable for most inorganic materials),
to the more advanced capillary geometry for compounds with low absorption. For each geometry the optical path is optimized to deliver the best
data quality. The HighScore suite offers a number of tools and algorithms guiding users through all the steps required for structure solution.

Learn more about structure solution from powder data. The articles report structures solved using PANalytical equipment Empyrean and Aeris

Click here to read about the investigation of the crystal structures of some of silver vanadates using the Aeris Research edition and to download the related data sheet.

Scientific article

Structure of a new larnite related material NaSrVO4 solved using floor standing diffractometer Empyrean.

Scientific article

Structure of a new silver vanadate AgCaVO4 solved using benchtop diffractometer Aeris.
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