Reciprocal lattice scan modes in single crystal diffractometry: a reexamination for cases of mineralogical interest
Abstract
The choice of reciprocal lattice nodes scan mode (ω, ω/θ, ω/2θ) in single crystal automated diffractometry is examined from an operational point of view, for typical routine situations in mineralogy (MoKα radiation, θ < 30°, monochromator). A critical reexamination of the literature (not always free from ambiguities) is attempted and experimental investigations on natural clinopyroxenes are reported. In the above specified conditions, unless extreme cases, what is really important is not primarily the chosen scan mode itself, but rather the size of the horizontal detector aperture in relation to scan mode. If this relationship is correctly chosen, the choice of scan mode itself can be somehow arbitrary and not relevant for refinement accuracy and precision. The criterion of “minimum detector aperture width”, largely emphasized in the literature, is of very limited operative relevance. Even a wrong choice of aperture-scan coupling affects precision but not accuracy of the final crystal chemical model (with the exception of thermal parameters underestimation). The different areas of reciprocal lattice sampled as background with different scan modes do not affect refinement results.
Articles in the same Issue
- Structure of 2,10-dibromo-3-chloro-7R,8S-epoxychamigrene
- Structural determination of a lead-lithium monophosphate, LiPbPO4
- Reciprocal lattice scan modes in single crystal diffractometry: a reexamination for cases of mineralogical interest
- Experimental charge density in polythionate anions: II. X-ray study of the electron density distribution in potassium tetrathionate, K2S4O6
- An uncommon Cu[2+4]O6 coordination polyhedron in the crystal structure of KCu3(OH)2[(AsO4)H(AsO4)] (with a comparison to related structure types)
- Some aspects of information theory and phase problem: Effect of heavy atoms on information content in P[unk]
- The crystal structure of hexaaquacopper(II) bis(7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylato)cuprate(II)
- Crystal and molecular structure of an isostere of purine ring system: 7-benzylamino-2-methylmercaptothiazolo [5,4-d] pyrimidine
- A novel form of molybdenum (V) phosphate: δ-KMo2P3O13
- Structure cristalline et moléculaire du camphosulfonate de l'α-(tétrahydro-4,5,6,7 thiéno (3,2-c) pyridyl-5) (chloro-2 phényl)-acétate de méthyle, C26H32NO6S2Cl. Configuration absolue
- Verfeinerung der Kristallstruktur von Holmquistit vom Brandrücken/Weinebene, Koralpe, Österreich
- Structural relationships of zeolite frameworks: “5-ring zeolites”
- Symmetry restrictions on minimal surfaces related by the Bonnet-transformation
- Crystal and molecular structure of N-p-fluorobenzoyl-l-valine
- Thermal decay of laser-induced long living metastable electronic states in Na2[Fe(CN)5NO] · 2H2O single crystals
- Crystal structures of three substituted ammonium hexachlororhenates(IV)
Articles in the same Issue
- Structure of 2,10-dibromo-3-chloro-7R,8S-epoxychamigrene
- Structural determination of a lead-lithium monophosphate, LiPbPO4
- Reciprocal lattice scan modes in single crystal diffractometry: a reexamination for cases of mineralogical interest
- Experimental charge density in polythionate anions: II. X-ray study of the electron density distribution in potassium tetrathionate, K2S4O6
- An uncommon Cu[2+4]O6 coordination polyhedron in the crystal structure of KCu3(OH)2[(AsO4)H(AsO4)] (with a comparison to related structure types)
- Some aspects of information theory and phase problem: Effect of heavy atoms on information content in P[unk]
- The crystal structure of hexaaquacopper(II) bis(7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylato)cuprate(II)
- Crystal and molecular structure of an isostere of purine ring system: 7-benzylamino-2-methylmercaptothiazolo [5,4-d] pyrimidine
- A novel form of molybdenum (V) phosphate: δ-KMo2P3O13
- Structure cristalline et moléculaire du camphosulfonate de l'α-(tétrahydro-4,5,6,7 thiéno (3,2-c) pyridyl-5) (chloro-2 phényl)-acétate de méthyle, C26H32NO6S2Cl. Configuration absolue
- Verfeinerung der Kristallstruktur von Holmquistit vom Brandrücken/Weinebene, Koralpe, Österreich
- Structural relationships of zeolite frameworks: “5-ring zeolites”
- Symmetry restrictions on minimal surfaces related by the Bonnet-transformation
- Crystal and molecular structure of N-p-fluorobenzoyl-l-valine
- Thermal decay of laser-induced long living metastable electronic states in Na2[Fe(CN)5NO] · 2H2O single crystals
- Crystal structures of three substituted ammonium hexachlororhenates(IV)
