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 200 deg C, measured at -170 deg C _database_code_amcsd 0002994 17.642 17.775 7.414 90 116.897 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 .1439 0 .679 .256 2.6 Sr1' .8459 0 .324 .148 2.1 Sr2 .7917 0 .230 .180 2.4 Sr2' .2117 0 .831 .16 2.1 Sr3 .4803 0 .7675 5.47 .601 .048 .023 .074 0 -.028 0 Sr3' .516 0 .253 .110 3.5 Sr4 .544 0 .204 .055 3.88 Sr5 .1851 0 .743 .28 1.2 Sr6 .7456 0 .047 .189 5.1 Sr6' .259 0 .910 .12 .1 Sr8 .912 0 .67 .18 28.6 Si1 .8202 .8318 .9128 .75 1.45 .014 .021 .018 -.004 .006 -.002 Al1 .8202 .8318 .9128 .25 1.45 .014 .021 .018 -.004 .006 -.002 Si1' .1794 .1651 .0970 .75 1.28 .014 .022 .013 -.0004 .007 .002 Al1' .1794 .1651 .0970 .25 1.28 .014 .022 .013 -.0004 .007 .002 Si2 .7069 .9095 .5002 .75 1.72 .035 .017 .014 -.002 .012 -.003 Al2 .7069 .9095 .5002 .25 1.72 .035 .017 .014 -.002 .012 -.003 Si2' .2945 .0901 .5104 .75 1.66 .023 .017 .025 .001 .012 .001 Al2' .2945 .0901 .5104 .25 1.66 .023 .017 .025 .001 .012 .001 Si3 .7102 .6886 .7234 .75 1.44 .020 .020 .016 -.002 .009 .000 Al3 .7102 .6886 .7234 .25 1.44 .020 .020 .016 -.002 .009 .000 Si3' .2852 .3102 .2751 .75 1.37 .021 .017 .013 .001 .006 .000 Al3' .2852 .3102 .2751 .25 1.37 .021 .017 .013 .001 .006 .000 Si4 .9345 .7082 .5893 .75 1.56 .024 .022 .012 -.006 .006 -.002 Al4 .9345 .7082 .5893 .25 1.56 .024 .022 .012 -.006 .006 -.002 Si4' .0639 .2952 .4115 .75 1.69 .022 .023 .018 .002 .008 .002 Al4' .0639 .2952 .4115 .25 1.69 .022 .023 .018 .002 .008 .002 Si5 .0011 .79257 .0043 .75 1.42 .0156 .0199 .0158 -.002 .0047 -.003 Al5 .0011 .79257 .0043 .25 1.42 .0156 .0199 .0158 -.002 .0047 -.003 O1 .6926 0 .455 3.0 .074 .020 .013 0 .012 0 O1' .3139 0 .555 3.6 .058 .018 .043 0 .007 0 O2 .7568 .8780 .372 4.6 .082 .042 .086 -.004 .068 -.027 O2' .2365 .1159 .623 3.4 .055 .045 .046 -.020 .039 -.022 O3 .8115 .8520 .118 2.9 .056 .035 .032 -.011 .030 -.010 O3' .1814 .1460 .884 2.3 .035 .035 .020 -.014 .015 -.004 O4 .7589 .8921 .745 2.9 .038 .046 .017 .008 .004 .006 O4' .2431 .1068 .261 2.3 .017 .027 .037 -.002 .005 .003 O5 .9916 .6849 .481 5.3 .083 .080 .073 -.033 .065 -.039 O6 .9178 .8440 .956 2.3 .015 .026 .045 -.003 .012 -.008 O6' .0825 .1513 .071 1.9 .024 .026 .028 .001 .016 .011 O7 .6310 .7323 .548 4.2 .053 .039 .044 .010 .000 .024 O7' .3650 .2671 .448 5.5 .052 .053 .059 .001 -.013 .018 O8 .9926 .7447 .812 2.9 .033 .044 .034 -.015 .015 -.028 O8' .0159 .2675 .182 3.7 .035 .047 .036 .009 -.005 -.017 O9 .7923 .7450 .843 2.1 .027 .026 .024 -.008 .010 -.006 O9' .2077 .2526 .158 1.9 .022 .027 .028 -.006 .017 -.005 O10 .8913 .6304 .616 2.4 .028 .032 .029 -.007 .012 .000 O10' .1104 .3739 .410 3.8 .050 .027 .047 -.007 .003 .005 Wat1 .292 0 .040 .65 4.5 Wat1' .2483 0 .961 .36 4.3 Wat3 .507 0 .450 .97 7.9 Wat4 .576 .9086 .982 .44 4.3 Wat4' .611 .908 .900 .50 6.1 Wat5 .073 0 .886 .58 2.8 Wat7 .469 .069 .025 .61 23.7 Wat7' .404 .093 .059 .19 2.7 Wat8 .015 .092 .508 .26 4.2 Wat9 .974 .092 .54 .06 1.6 Wat11 .898 0 .17 .5 12.7 Wat11' .919 0 .086 .6 6.51 Wat13 .636 0 -.090 .8 24.6