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 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
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