Chabazite-Ca Gualtieri A F Journal of Applied Crystallography 33 (2000) 267-278 Accuracy of XRPD QPA using the combined Rietveld-RIR method Locality: Keller, Nidda, Germany _database_code_amcsd 0012861 9.39692 9.39692 9.39692 93.866 93.866 93.866 R-3m atom x y z occ Uiso Si .1048 .3260 .8702 .71 .035 Al .1048 .3260 .8702 .29 .035 O1 .2567 .7433 0 .033 O2 .1455 .8545 .5 .032 O3 .2619 .2619 .8844 .069 O4 .0116 .0116 .3136 .061 Ca1 0 0 0 .10 .022 Ca2 .1965 .1965 .1965 .07 .08 Ca3 .3844 .3844 .3844 .03 .071 Ca4 .6167 .6167 .1917 .24 .08 Wat1 .5 .5 0 .85 .07 Wat2 .2664 .2664 .5370 .63 .19 Wat3 .2337 .3893 .5116 .46 .08 Wat4 .3744 -.3744 .5 .43 .07 Wat5 .5822 .5822 .4972 .31 .08 Wat6 .2437 .2437 .2437 .93 .07