ON THE ACCURACY OF DETERMINING UNIT CELL PARAMETERS OF SINGLE CRYSTALS ON MODERN LABORATORY DIFFRACTOMETERS
P. S. Serebrennikova, Vladislav Yu. Komarov, A. S. Sukhikh, S. А. Gromilov
Abstract
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.
Topics & Concepts
DiffractometerSingle crystalDetectorReproducibilityDiffractionUnit (ring theory)Materials scienceSolid-state physicsRadiationOpticsComputational physicsAnalytical Chemistry (journal)CrystallographyPhysicsMathematicsChemistryCondensed matter physicsStatisticsScanning electron microscopeMathematics educationChromatographyX-ray Diffraction in CrystallographyLuminescence Properties of Advanced MaterialsCrystal Structures and Properties