Heulandite-Sr Dobelin N, Armbruster T American Mineralogist 88 (2003) 527-533 Stepwise dehydration of Sr-exchanged heulandite: A single-crystal X-ray study Note: dehydrated at 150 deg C, measured at -170 deg C _database_code_amcsd 0002993 17.643 17.842 7.418 90 116.851 90 Cm atom x y z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) Sr1 .1460 0 .6803 .49 2.8 .054 .023 .044 0 .036 0 Sr2 .8503 0 .3299 .310 3.1 .060 .030 .045 0 .039 0 Sr3 .4761 0 .7791 .809 5.53 .04 .000 .08 0 -.037 0 Sr4 .528 0 .215 .087 5.2 .049 .026 .073 0 -.027 0 Sr5 .184 0 .737 .26 5.4 .12 .010 .13 0 .11 0 Sr6 .785 0 .218 .034 1.3 Sr7 .711 0 -.036 .089 5.1 Si1 .8209 .8304 .9099 .75 1.27 .011 .020 .016 -.0027 .0055 -.0006 Al1 .8209 .8304 .9099 .25 1.27 .011 .020 .016 -.0027 .0055 -.0006 Si1' .1796 .1666 .0934 .75 1.21 .015 .018 .013 .0011 .0071 .0017 Al1' .1796 .1666 .0934 .25 1.21 .015 .018 .013 .0011 .0071 .0017 Si2 .7096 .9100 .5009 .75 1.70 .031 .016 .019 -.0025 .012 -.0009 Al2 .7096 .9100 .5009 .25 1.70 .031 .016 .019 -.0025 .012 -.0009 Si2' .2927 .0905 .5059 .75 1.31 .021 .013 .017 .0012 .0100 -.0019 Al2' .2927 .0905 .5059 .25 1.31 .021 .013 .017 .0012 .0100 -.0019 Si3 .7083 .6893 .7190 .75 1.24 .018 .020 .010 -.0030 .0065 -.0013 Al3 .7083 .6893 .7190 .25 1.24 .018 .020 .010 -.0030 .0065 -.0013 Si3' .2868 .3096 .2764 .75 1.28 .018 .014 .015 .0031 .0063 .0024 Al3' .2868 .3096 .2764 .25 1.28 .018 .014 .015 .0031 .0063 .0024 Si4 .9351 .7056 .5882 .75 1.34 .018 .017 .013 -.0045 .0044 .0000 Al4 .9351 .7056 .5882 .25 1.34 .018 .017 .013 -.0045 .0044 .0000 Si4' .0642 .2974 .4091 .75 1.47 .022 .020 .013 .0016 .0073 -.0001 Al4' .0642 .2974 .4091 .25 1.47 .022 .020 .013 .0016 .0073 -.0001 Si5 .0016 .79014 .0023 .75 1.29 .0137 .0194 .0134 -.003 .0038 -.001 Al5 .0016 .79014 .0023 .25 1.29 .0137 .0194 .0134 -.003 .0038 -.001 O1 .6981 0 .459 3.2 .070 .010 .041 0 .024 0 O1' .3126 0 .548 2.3 .044 .016 .014 0 .001 0 O2 .7605 .8764 .376 4.5 .094 .039 .070 .005 .064 -.015 O2' .2331 .1163 .615 2.3 .035 .031 .035 -.015 .028 -.014 O3 .8151 .8490 .120 2.7 .042 .035 .030 -.023 .022 -.011 O3' .1787 .1470 .8780 2.1 .030 .039 .017 -.008 .015 -.004 O4 .7615 .8914 .745 2.7 .033 .028 .026 .009 .001 .005 O4' .2444 .1080 .2580 2.0 .022 .034 .018 .001 .008 -.001 O5 .9943 .6810 .480 4.2 .060 .072 .048 -.028 .043 -.027 O6 .9183 .8410 .950 2.3 .014 .032 .040 -.001 .012 -.005 O6' .0830 .1532 .0714 1.51 .022 .014 .023 .000 .011 .006 O7 .6277 .7328 .544 3.5 .046 .036 .034 .018 .003 .017 O7' .3648 .2656 .448 5.0 .041 .054 .052 -.001 -.016 .022 O8 .9941 .7420 .8117 2.5 .023 .036 .033 -.010 .011 -.024 O8' .0137 .2687 .181 3.4 .035 .052 .024 .008 -.004 -.015 O9 .7908 .7453 .8393 2.0 .021 .029 .027 -.010 .012 -.010 O9' .2069 .2546 .1584 1.8 .023 .020 .024 -.002 .011 .000 O10 .8901 .6281 .6138 2.2 .026 .038 .019 -.006 .008 .000 O10' .1132 .3733 .406 3.5 .043 .018 .053 -.008 .007 .009 Wat1 .2667 0 .988 4.2 Wat3 .5110 0 .480 6.2 Wat4 .5825 .9090 .971 .36 1.2 Wat4' .607 .9074 .920 .43 4.4 Wat5 .070 0 .902 .80 5.1 Wat6 .096 0 .274 .49 3.4 Wat7 .425 .082 .035 .73 10.0 Wat8 .016 .092 .486 .36 3.9 Wat9 .981 .092 .508 .43 7.0 Wat11 .890 0 .219 .41 10.44 Wat11' .925 0 .098 .61 8.9 Wat12 .758 0 .081 .36 1.4