The following table contains some of the atomic radius
data used by CrystalMaker. This is a brief summary of a
far more extensive body of work - please see the
notes at the end of this page for
more information.
Atomic Radii: values are calculated from:
E Clementi, D L Raimondi, W P Reinhardt (1963) J Chem Phys. 38:2686.
Ionic Radii: these data are taken from an empirical system of unified
atomic-ionic radii, which is suitable for describing anion-cation contacts
in ionic structures. The data were derived by the comparison of bond
lengths in over 1200 bond types in ionic, metallic, and covalent
crystals and molecules by:
J C Slater (1964) J Chem Phys 41:3199
J C Slater (1965) Quantum Theory of Molecules and Solids.
Symmetry and Bonds in Crystals. Vol 2. McGraw-Hill, New York.
Note that calculated data have been used for the following elements:
He, Ne, Ar, Kr, Xe, At and Rn. These data were taken from:
E Clementi, D L Raimondi, W P Reinhardt (1963) J Chem Phys 38:2686
Covalent Radii: Data given here are taken from
WebElements, copyright Mark Winter, University of Sheffield, UK.
Van-der-Waals Radii: Van der Waals radii are established from
contact distances between non-bonding atoms in touching molecules
or atoms. Most data here are from:
A Bondi (1964) J Phys Chem 68:441
"Crystal" Radii: These data are taken from Shannon &
Prewitt's (S∓P) seminal work on "physical" ionic radii, as
determined from measurements of real structures.
Note that in most cases S∓P quote different radii for the same
element: the radii vary according to charge and coordination number.
We have chosen the most-common charges (oxidation states) and
coordination numbers. The details are given in the element text
file after each data entry.
R D Shannon and C T Prewitt (1969) Acta Cryst. B25:925-946
R D Shannon (1976) Acta Cryst. A23:751-761