American Mineralogist Crystal Structure Database

1 matching records for this search.

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: fully hydrated at room temperature
_database_code_amcsd 0002991
17.714 18.000 7.430 90 116.627 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   .15021      0 .6789 .759 2.21  .0319  .0258  .0288      0  .0157      0
Sr2    .8536      0 .3437 .457 3.15   .052   .031   .043      0   .027      0
Sr3    .4661      0 .8124  .78 1.36  .0151  .0149   .015      0  .0004      0
Sr4     .477      0  .752  .12  2.5   .031   .032    .03      0   .011      0
Si1    .8224  .8287 .9126  .75 1.08  .0120  .0172  .0115 -.0012  .0051  .0005
Al1    .8224  .8287 .9126  .25 1.08  .0120  .0172  .0115 -.0012  .0051  .0005
Si1'   .1795 .16957 .0993  .75 1.09  .0133  .0182  .0093  .0000  .0045  .0012
Al1'   .1795 .16957 .0993  .25 1.09  .0133  .0182  .0093  .0000  .0045  .0012
Si2    .7144 .91001 .5090  .75 1.23  .0208  .0132  .0135  .0013  .0083  .0001
Al2    .7144 .91001 .5090  .25 1.23  .0208  .0132  .0135  .0013  .0083  .0001
Si2'   .2887 .09057 .5057  .75 1.07  .0131  .0141  .0120 -.0002  .0043 -.0004
Al2'   .2887 .09057 .5057  .25 1.07  .0131  .0141  .0120 -.0002  .0043 -.0004
Si3    .7059 .69056 .7190  .75 1.06  .0140  .0160  .0106  .0010  .0057  .0012
Al3    .7059 .69056 .7190  .25 1.06  .0140  .0160  .0106  .0010  .0057  .0012
Si3'   .2915 .30856 .2858  .75 1.04  .0151  .0133  .0109  .0003  .0056  .0002
Al3'   .2915 .30856 .2858  .25 1.04  .0151  .0133  .0109  .0003  .0056  .0002
Si4    .9361 .70057 .5921  .75 1.13  .0153  .0161  .0106 -.0021  .0050  .0003
Al4    .9361 .70057 .5921  .25 1.13  .0153  .0161  .0106 -.0021  .0050  .0003
Si4'   .0648 .30095 .4140  .75 1.07  .0131  .0159  .0105  .0010  .0043  .0006
Al4'   .0648 .30095 .4140  .25 1.07  .0131  .0159  .0105  .0010  .0043  .0006
Si5    .0023 .78463 .0069  .75 1.15  .0129  .0178  .0111 -.0028  .0037  .0003
Al5    .0023 .78463 .0069  .25 1.15  .0129  .0178  .0111 -.0028  .0037  .0003
O1     .7053      0  .471       2.6   .052   .014   .028      0   .013      0
O1'    .3060      0  .549       1.6   .026   .011   .020      0   .005      0
O2     .7686  .8766 .3928       2.8   .050   .030   .040   .002   .033  -.008
O2'    .2287  .1186 .6135      1.71   .021   .026   .019  -.002   .010  -.003
O3     .8188  .8455 .1233      2.17   .040   .029   .020  -.010   .020  -.006
O3'    .1787  .1510 .8813      2.03   .027   .038   .016  -.012   .014  -.005
O4     .7663  .8925 .7543      2.42   .033   .028   .021   .006   .004   .004
O4'    .2422  .1094 .2589      1.52   .020   .023   .016   .001   .008  -.001
O5     .9981  .6731  .494      2.71   .038   .042   .034  -.014   .027  -.009
O6     .9199  .8372 .9494      1.91   .023   .025   .025  -.001   .012  -.004
O6'    .0839  .1601 .0795      1.35   .012   .020   .018   .001   .006   .003
O7     .6240  .7344 .5484       2.5   .037   .031   .024   .014   .010   .011
O7'    .3698  .2632 .4519       3.0   .031   .033   .029   .005  -.004   .007
O8     .9957  .7358 .8165      2.05   .020   .032   .022  -.011   .007  -.013
O8'    .0116  .2733 .1838      2.31   .029   .032   .020   .008   .005  -.010
O9     .7885  .7455 .8306      1.78   .023   .022   .024  -.007   .012  -.008
O9'    .2105  .2547 .1711      1.70   .020   .021   .023  -.004   .010  -.001
O10    .8866  .6270 .6135      1.53   .018   .023   .016  -.003   .007   .002
O10'   .1185  .3743 .4106       2.6   .027   .018   .046  -.006   .009   .002
Wat1   .2789      0  .030       3.1
Wat2   .7336      0  .010       4.5
Wat3   .5081      0  .513       4.9
Wat4   .5894  .9103  .966       4.3
Wat5   .0799      0  .910  .84  4.8
Wat6   .0985      0  .286  .87  5.8
Wat7   .4229  .0797  .039  .97  3.5
Wat8   .0218  .0887  .490  .76  4.9
Wat9    .983   .090  .531  .35  3.9
Wat10   .909      0  .757  .69  8.0
Wat11   .921      0  .108  .71  8.2
Wat12   .537      0  .199  .43 3.95
Wat13   .239      0  .903  .18  2.3
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