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Searching for this on google proved to be quite tedious, but I reckon that someone working with crystals a lot might know this off the top of his head:

Is there a good source that lists the Madelung constants for a variety of geometries? I'd be particularly interested in that for a NaCl-type 110 surface.


2 Answers 2

up vote 1 down vote accepted

This page says:

However, the surface Madelung constant computed in the (100) plane is 96 % of the bulk value for crystals with a sodium chloride structure. In the (110) planes in crystals with sodium chloride and cesium chloride structures, the surface Madelung constant is 86% and 90% respectively, of the bulk value.

Seems high, but I don't have access to the cited reference (P. H. Citrin and T. D. Thomas, J. Chem. Phys. 57, 4446 (1972)) to check.

Drat, then I have convergence issues with the script I wrote to calculate it myself. There I get approx. 1.33 –  Lagerbaer Apr 5 '11 at 15:14
Oh wait, no. It's perfect :) –  Lagerbaer Apr 5 '11 at 15:15

It's between 1.748 and 1.75, see


See some other promising sources


The figure 1.748 is confirmed by Wikipedia - in the thick table in the middle:


1.748 is for bulk NaCl, I'm after the value of the Madelung potential at the surface. –  Lagerbaer Apr 3 '11 at 14:49

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