Chabazite-Ca Nakatsuka A, Okada H, Fujiwara K, Nakayama N, Mizota T Microporous and Mesoporous Materials 102 (2007) 188-195 Crystallographic configurations of water molecules and exchangeable cations in a hydrated natural CHA-zeolite (chabazite) Locality: Komuro, Ohhito, Shizuoka Prefecture, Japan _database_code_amcsd 0017694 9.3943 9.3943 9.3943 94.369 94.369 94.369 R-3m atom x y z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) Ca1 .4070 .4070 .4070 .293 6.477 .079 .079 .079 -.015 -.015 -.015 Na1 .4070 .4070 .4070 .092 6.477 .079 .079 .079 -.015 -.015 -.015 Ca2 .5831 .5831 .2311 .111 3.84 .040 .040 .064 -.017 .008 .008 Na2 .5831 .5831 .2311 .035 3.84 .040 .040 .064 -.017 .008 .008 Ca3 .2089 .2089 .2089 .132 4.64 .061 .061 .061 .022 .022 .022 Na3 .2089 .2089 .2089 .041 4.64 .061 .061 .061 .022 .022 .022 Ca4 0 0 0 .052 13.4 .16 .16 .16 -.04 -.04 -.04 Na4 0 0 0 .016 13.4 .16 .16 .16 -.04 -.04 -.04 Al .10460 .33312 .87654 .283 .968 .01118 .00953 .01586 .00102 .00117 -.00056 Si .10460 .33312 .87654 .713 .968 .01118 .00953 .01586 .00102 .00117 -.00056 O1 .26125 -.26125 0 2.842 .0306 .0306 .0417 -.0029 -.0107 -.0107 O2 .15197 -.15197 .5 2.245 .0356 .0356 .0149 .0076 .0022 .0022 O3 .25347 .25347 .89240 2.731 .0227 .0227 .0594 .0084 .0034 .0034 O4 .02591 .02591 .32385 2.606 .0313 .0313 .0388 .0131 .0057 .0057 Wat1 .809 .672 .517 .345 25.8 .23 .42 .29 -.24 .06 -.01 Wat2 .5 .5 0 .759 9.96 .102 .133 .133 -.044 -.044 .044 Wat3 .2538 .2538 .2538 .555 5.83 .070 .070 .070 -.018 -.018 -.018 Wat4 .311 .311 .561 .418 28.5 .51 .51 .10 -.01 .13 .13 Wat5 .3643 -.3643 .5 .406 31.3 .42 .42 .34 .36 -.19 -.19