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Atomic Radii in Crystals

Slater, J. C.·1964·The Journal of Chemical Physics

Abstract

A set of empirical atomic radii has been set up, such that the sum of the radii of two atoms forming a bond in a crystal or molecule gives an approximate value of the internuclear distance. These radii give fair agreement with experiment in over 1200 cases of bonds in all types of crystals and molecules, with an average deviation of about 0.12 Å. The radii are similar to a set suggested by W. L. Bragg in 1920, but refined by consideration of many more crystals. They hold for covalent, metallic, and ionic binding equally well. These radii agree remarkably well with calculated radii of maximum radial charge density in the outermost shells of the atoms, as taken from previously unpublished calculations of D. Liberman, J. T. Waber, and D. T. Cromer, of the Los Alamos Laboratory, by relativistic self-consistent field calculation, using the exchange correction suggested in 1951 by the present author. There is discussion of the probable reason for this agreement, and discussion of the relation of these radii to the ionic radii of Pauling, Zachariasen, and others, and the tetrahedral and metallic radii of Pauling.

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Metadata

Authors
Slater, J. C.
Venue
The Journal of Chemical Physics
Published
1964-11-15
Volume
41
Issue
10
Pages
3199-3204
ISSN
  • 0021-9606 (ISSN-L)
  • 1089-7690
OpenAlex
W1981338907
Cited by
2,374
References
8
FWCI
7.42
Type
journal article
Language
en
Open access
closed

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CoChat. (2026). Citation check: Atomic Radii in Crystals. https://app.cochat.ai/papers/10.1063/1.1725697
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Slater, J. C. (1964). Atomic Radii in Crystals. The Journal of Chemical Physics. https://doi.org/10.1063/1.1725697

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Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).

Semantic Scholar’s data is described in: Kinney, R., et al. (2023). The Semantic Scholar Open Data Platform. arXiv:2301.10140.