Update vdW radii to CRC handbook values#2122
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mkhorton merged 2 commits intomaterialsproject:masterfrom Apr 29, 2021
Merged
Update vdW radii to CRC handbook values#2122mkhorton merged 2 commits intomaterialsproject:masterfrom
mkhorton merged 2 commits intomaterialsproject:masterfrom
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Git does not seem well-equipped to diff https://jsoncompare.com/#!/diff/id=6924b719277a2a2b7a630352828d155c&fullscreen/ click the 'lint' button on both panes and you will see each change nicely highlighted |
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Thank you @rkingsbury , definitely happy to have data sourced from somewhere that isn't wikipedia here :-) |
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…ook (#4372) * add new values that are absent from CSV at all * remove fixed issues * regenerate json and yaml * add Ge vdw radius * remove legacy electron_affinities.yaml * manually recover electron affinities for D for now * reapply update from #2122 * Revert "Fix inconsistent "Van der waals radius" and "Metallic radius" in `core.periodic_table.json` (#4345)" This reverts commit bdc448f. * add note * revert changes to metallic radii * revert change to metallic radii in production json * fix Pa vdw radius
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Summary
This PR updates the
van_der_waals_radiusdata used by theElementclass from Wikipedia data to the latest values in the in the CRC Handbook of Chemistry and Physics. Important changes from the previous values include:Hdown by 0.1 angstrom as recommended in a critical review by Rowland and TaylorAll data, and the justification for which values were chosen, can be found in
"Atomic Radii of the Elements" in CRC Handbook of Chemistry and Physics, 91st Ed.; Haynes, W.M., Ed.; CRC Press: Boca Raton, FL, 2010.