International
Tables for
Crystallography
Volume B
Reciprocal space
Edited by U. Shmueli

International Tables for Crystallography (2006). Vol. B, ch. 3.4, p. 392

Table 3.4.12.2 

D. E. Williamsa

aDepartment of Chemistry, University of Louisville, Louisville, Kentucky 40292, USA

Table 3.4.12.2| top | pdf |
The reciprocal-lattice results (kJ mol−1, Å) for the Coulombic sum ([n = 1]) of sodium chloride

Limit [w = 0.1] [w = 0.15] [w = 0.2] [w = 0.3] [w = 0.4]
0.0 −277.872 −416.806 −555.742 −833.613 −1111.483
0.4 0.000 0.003 0.986 61.451 261.042
0.5   0.003 0.986 61.451 261.042
0.6       61.457 262.542
0.7       61.457 262.542
0.8         262.547
0.9         262.547