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ON THE ACCURACY OF DETERMINING UNIT CELL PARAMETERS OF SINGLE CRYSTALS ON MODERN LABORATORY DIFFRACTOMETERS

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Abstract

We propose a technique for the refinement of unit cell parameters (UCPs) using a single crystal diffractometer equipped with a flat-panel area detector. The technique is based on choosing Kα1 components of X-ray radiation when processing diffraction reflections. The capabilities of the technique are demonstrated on [NiEn3]MoO4 single crystals. In two independent experiments, the difference between 2θexp and 2θcalc did not exceed 0.02° while the reproducibility of unit cell parameters was at least 0.008 Å.

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Correspondence to S. A. Gromilov.

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Russian Text © The Author(s), 2021, published in Zhurnal Strukturnoi Khimii, 2021, Vol. 62, No. 5, pp. 734-744.https://doi.org/10.26902/JSC_id72860

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Serebrennikova, P.C., Komarov, V.Y., Sukhikh, A.S. et al. ON THE ACCURACY OF DETERMINING UNIT CELL PARAMETERS OF SINGLE CRYSTALS ON MODERN LABORATORY DIFFRACTOMETERS. J Struct Chem 62, 682–691 (2021). https://doi.org/10.1134/S0022476621050048

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  • DOI: https://doi.org/10.1134/S0022476621050048

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