Heulandite
Wust T, Stolz J, Armbruster T
American Mineralogist 84 (1999) 1126-1134
Partially dealuminated heulandite produced by acidic REECl3 solution: A chemical
and single-crystal X-ray study
Sample: DEHY323
Tetrahedral sites were refined as Si
_database_code_amcsd 0002253
17.583 17.695 7.408 90 116.52 90 C2/m
atom       x      y     z  occ  Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Si1   .17822 .33236 .0912             .0147  .0357  .0186  .0009  .0078 -.0013
Si2   .28602 .41093 .4940             .0273  .0260  .0268  .0003  .0133  .0000
Si3   .29190 .19000 .2828             .0236  .0301  .0174 -.0006  .0109  .0009
Si4   .43360 .29733 .5820             .0184  .0351  .0188  .0020  .0081  .0006
Si5        0  .2813     0             .0162  .0420  .0178      0  .0057      0
Al1        0  .4210     0  .12   2.1
Al2     .489      0  .550  .13   3.7
Al3     .235     .5  .178 .033  2.37
NaB     .462     .5  .724  .19  8.01
O1     .3019     .5 .5391              .064   .030   .051      0   .022      0
O2     .2645  .1217 .3843              .070   .057   .064   .007   .050   .021
O3     .3144  .1508 .1146              .057   .060   .035   .014   .032   .005
O4     .2304  .3977 .2497              .040   .052   .033  -.010   .010  -.008
O5        .5  .3217    .5              .074   .087   .074      0   .065      0
O6     .0799  .3374 .0499              .018   .042   .047   .001   .014   .001
O7     .3757  .2298 .4517              .054   .062   .054  -.011   .000  -.021
O8     .0141  .2284 .1878              .049   .066   .028  -.003   .008   .013
O9     .2153  .2497 .1797              .033   .041   .043   .011   .022   .008
O10    .3792  .3713 .5719              .035   .054   .066   .015   .015  -.001
WatA1   .373      0  .380  .12   4.9
WatA3   .391      0  .296  .12   4.1
WatA4   .418      0  .100  .12  12.2
WatA6   .076     .5  .047  .25  5.92
WatA8   .505   .089  .620  .10   5.5
WatA9   .473   .080  .710  .15   4.7
WatB2   .525     .5  .612  .32 15.79
WatB3   .410     .5  .079  .17   2.3
WatC2   .224      0  .034  .30   4.2
WatC3   .259      0  .083  .22   2.9