Rare Gas Adsorption to Silver-Exchanged Zeolites

Table 3

Relative coordinates of atoms along the -axis.

	O (near Si)	Si	O (bridge)	Al	O (near Al)	Ag
LDA	0.0	0.0599	0.2373	0.4272	0.5114	0.7278
GGA	0.0	0.0707	0.2448	0.4344	0.5216	0.7425
DFT-D	0.0	0.0703	0.2442	0.4330	0.5199	0.7396