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: dehydrated at 100 deg C, measured at -170 deg C
_database_code_amcsd 0002992
17.698 17.970 7.426 90 116.653 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   .1498      0 .6800 .752   2.35  .0365  .0255  .0309      0  .0183      0
Sr2   .8538      0 .3426 .442   3.20   .051   .032   .046      0   .028      0
Sr3   .4665      0  .813  .73   1.48   .016  .0157   .017      0  .0003      0
Sr4    .479      0  .753  .17    2.3   .032   .031   .024      0   .011      0
Si1   .8223  .8289 .9128  .75   1.10  .0116  .0181  .0116 -.0013  .0049  .0008
Al1   .8223  .8289 .9128  .25   1.10  .0116  .0181  .0116 -.0013  .0049  .0008
Si1'  .1796  .1692 .0991  .75   1.12  .0147  .0187  .0094  .0004  .0055  .0010
Al1'  .1796  .1692 .0991  .25   1.12  .0147  .0187  .0094  .0004  .0055  .0010
Si2   .7137  .9099 .5081  .75   1.30   .022  .0139  .0144  .0001  .0084 -.0003
Al2   .7137  .9099 .5081  .25   1.30   .022  .0139  .0144  .0001  .0084 -.0003
Si2'  .2892  .0904 .5062  .75   1.06  .0137  .0149  .0118 -.0001  .0057 -.0006
Al2'  .2892  .0904 .5062  .25   1.06  .0137  .0149  .0118 -.0001  .0057 -.0006
Si3   .7064 .69029 .7193  .75   1.06  .0142  .0165  .0110  .0011  .0070  .0006
Al3   .7064 .69029 .7193  .25   1.06  .0142  .0165  .0110  .0011  .0070  .0006
Si3'  .2911 .30864 .2850  .75   1.08  .0159  .0136  .0110  .0006  .0057  .0012
Al3'  .2911 .30864 .2850  .25   1.08  .0159  .0136  .0110  .0006  .0057  .0012
Si4   .9360  .7012 .5922  .75   1.12  .0151  .0162  .0108 -.0022  .0053  .0008
Al4   .9360  .7012 .5922  .25   1.12  .0151  .0162  .0108 -.0022  .0053  .0008
Si4'  .0648  .3005 .4136  .75   1.13  .0139  .0178  .0101  .0013  .0045 -.0001
Al4'  .0648  .3005 .4136  .25   1.13  .0139  .0178  .0101  .0013  .0045 -.0001
Si5   .0022 .78541 .0066  .75   1.18  .0131  .0188  .0113 -.0038  .0040  .0004
Al5   .0022 .78541 .0066  .25   1.18  .0131  .0188  .0113 -.0038  .0040  .0004
O1    .7038      0  .470         2.7   .056   .011   .028      0   .014      0
O1'   .3067      0  .548         1.9   .027   .017   .019      0   .004      0
O2    .7671  .8766  .391         3.0   .055   .030   .046   .000   .038  -.009
O2'   .2289  .1184 .6135        1.71   .019   .027   .020  -.001   .010  -.004
O3    .8183  .8460 .1226         2.3   .044   .030   .018  -.013   .018  -.005
O3'   .1788  .1505 .8812        2.01   .024   .041   .019  -.011   .016  -.006
O4    .7656  .8924 .7537         2.6   .038   .029   .022   .007   .004   .006
O4'   .2426  .1096 .2592        1.52   .017   .028   .013   .002   .007  -.002
O5    .9982  .6739  .494        2.94   .041   .046   .038  -.017   .029  -.010
O6    .9194  .8378 .9491        1.99   .021   .028   .025   .000   .009  -.003
O6'   .0837  .1592 .0783        1.37   .012   .021   .022   .000   .009   .003
O7    .6244  .7341 .5482         2.8   .041   .032   .028   .019   .011   .014
O7'   .3693  .2635 .4517         3.1   .032   .034   .034   .003  -.003   .009
O8    .9954  .7368 .8154        2.14   .020   .033   .024  -.010   .007  -.012
O8'   .0115  .2727 .1835        2.38   .031   .032   .021   .009   .006  -.010
O9    .7891  .7452 .8328        1.83   .024   .023   .023  -.005   .011  -.007
O9'   .2099  .2547 .1700        1.69   .020   .021   .023  -.004   .009   .000
O10   .8873  .6275 .6151        1.58   .018   .026   .015   .000   .007   .002
O10'  .1179  .3741 .4102         2.8   .030   .021   .045  -.008   .009   .006
Wat1  .2789      0  .027         3.0
Wat2  .7340      0  .011         4.8
Wat3  .5081      0  .513         5.3
Wat4  .5895  .9099  .964         4.4
Wat5  .0774      0  .911  .81    4.8
Wat6  .0986      0  .288  .80    5.3
Wat7  .4228  .0800  .037  .91    3.8
Wat8   .021  .0887  .491  .67    4.6
Wat9   .985   .090  .530  .40    5.1
Wat10  .909      0  .754  .60    8.4
Wat11  .921      0  .108  .73    9.5
Wat12  .537      0  .200  .40   3.95
Wat13  .238      0  .900  .19    2.1
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