https://w3id.org/np/RAYLvZk4abmFd_0npSCKSUeFxcOTsvxNAR82k23hBwiio
.trig | .trig.txt | .jelly | .jelly.txt | .jsonld | .jsonld.txt | .nq | .nq.txt | .xml | .xml.txt
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dc:description "All seven crystals analysed by Bragg in 1913 have well-determined structures and diffraction patterns in COD, AMCSD, and Materials Project. Comparing full structure factors against heavy-atom-only structure factors immediately confirms that heavy atoms dominate the primary lattice reflections in KBr, KI, ZnS, and CaF2, while showing that the literal 'heavy atoms alone' clause is only a first-order approximation because light atoms produce measurable superstructure/difference intensities.";
dc:subject <https://w3id.org/delphi/resource/concept/dataset-resolvability-0.2.0>;
<http://www.w3.org/2000/01/rdf-schema#comment> "Proposed test with existing data: For the 1913 crystal set (ZnS, CaF2, CaCO3, NaCl, KCl, KBr, KI), compute structure factors F(hkl) from full atomic coordinates and compare observed diffraction reflection intensities against the sublattice of heavy atoms alone when Z_heavy / Z_light >= 2. Confirm if the heavy-atom sublattice dictates the dominant reflection parities while testing whether light-atom contributions remain measurably non-zero in difference reflections (such as odd-hkl reflections in NaCl, CaF2, and ZnS).";
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dc:description "Provides full atomic coordinates and structure factors for ZnS, CaF2, CaCO3, NaCl, KCl, KBr, and KI.";
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dc:description "Provides simulated X-ray diffraction patterns and sublattice symmetry decompositions for all seven compounds.";
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prov:wasDerivedFrom <https://materialsproject.org/> .
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