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Where can I find data for the Madelung constants for various ionic compounds? Specifically, I am looking at silicon tetrachloride, yttrium (III) chloride, zirconium (IV) oxynitrate hydrate, niobium (V) chloride, molybdenum (V) chloride, hafnium tetrachloride, tantalum (V) chloride, and tungsten hexachloride.

Is there a database that has already-determined Madelung constants? Thanks.

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    $\begingroup$ Why do you want Madelung constants for this set? Apart from the first two (and even then it's debatable for Zr4+) the ionic model is going to be an extremely poor representation of such systems. $\endgroup$
    – Ian Bush
    Commented May 29, 2022 at 7:08
  • $\begingroup$ I wanted the Madelung constants because I wanted to calculate the lattice energy using the Born-Lande equation. Am fairly new to this kind of chemistry, sorry if I am misinterpreting some terms. Would there be an alternate method to determine the lattice energy? $\endgroup$
    – Zachary Ireland
    Commented May 29, 2022 at 19:26
  • $\begingroup$ The Madelung constant is the signed sum of the reciprocal lattice distances so you must have the x-ray structure and then from the unit cell and using symmetry calculate numerically all the distances, possible many hundreds until the summation converges. $\endgroup$
    – porphyrin
    Commented May 31, 2022 at 7:36

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