Revised effective ionic radii and systematic studies of interatomic distances in halides and chalcogenides
Abstract
The effective ionic radii of Shannon & Prewitt [Acta Cryst. (1969), B25, 925-945] are revised to include more unusual oxidation states and coordinations. Revisions are based on new structural data, empirical bond strength-bond length relationships, and plots of (1) radii vs volume, (2) radii vs coordination number, and (3) radii vs oxidation state. Factors which affect radii additivity are polyhedral distortion, partial occupancy of cation sites, covalence, and metallic character. Mean Nb5+-O and Mo6+-O octahedral distances are linearly dependent on distortion. A decrease in cation occupancy increases mean Li+-O, Na+-O, and Ag+-O distances in a predictable manner. Covalence strongly shortens Fe2+-X, Co2+-X, Ni2+-X, Mn2+-X, Cu+-X, Ag+-X, and M-H- bonds as the electronegativity of X or M decreases. Smaller effects are seen for Zn2+-X, Cd2+-X, In2+-X, pb2+-X, and TI+-X. Bonds with delocalized electrons and therefore metallic character, e.g. Sm-S, V-S, and Re-O, are significantly shorter than similar bonds with localized electrons.
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Mn2+ and Ca2+ have nearly 20% difference in ionic radius.
“With nearly 20% difference in ionic radius, Mn2+ (0.83 Å for sixfold coordination; Shannon 1976) and Ca2+ (1.00 Å) are well suited for evaluating relaxation in a solid solution having the calcite structure.”
From Structural relaxation in the MnCO 3 -CaCO 3 solid solution: a Mn K -edge EXAFS study (2002) · cites this paper as Shannon 1976
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- Authors
- Shannon, R. D.
- Corresponding author
- Shannon, R. D.
- Venue
- Acta Crystallographica Section A
- Published
- 1976-09-01
- Volume
- 32
- Issue
- 5
- Pages
- 751-767
- ISSN
- 0567-7394 (ISSN-L)
- OpenAlex
- W2167590372
- Cited by
- 66,145
- References
- 1
- Citations by year
- 2026: 3300 · 2025: 3618 · 2024: 3596 · 2023: 3360 · 2022: 3444 · 2021: 3435 · 2020: 3548 · 2019: 3276 · 2018: 3045 · 2017: 2819 · 2016: 2786 · 2015: 2480 · 2014: 2424 · 2013: 2223 · 2012: 2044
- FWCI
- 53.10
- Type
- journal article
- Language
- en
- Open access
- closed
- Licence
- Locations
- Acta Crystallographica Section A (publishedVersion)
- Topics
- Physical Sciences › Materials Science › Electronic, Optical and Magnetic Materials › Crystal Structures and Properties
- Physical Sciences › Chemistry › Inorganic Chemistry › Crystal structures of chemical compounds
- Physical Sciences › Chemistry › Inorganic Chemistry › Inorganic Chemistry and Materials
- Keywords
- effective ionic radii, interatomic distances, halides, chalcogenides, oxidation state effects, coordination number, polyhedral distortion, cation site occupancy, covalency, metallic behavior
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