Cs9Al9Si27O72*13H2O
Yang P, Armbruster T
Journal of Solid State Chemistry 123 (1996) 140-149
Na, K, Rb and Cs exchange in heulandite single-crystals: X-ray structure
refinements at 100 K
Sample: T = 100 K
Locality: Nasik, India
_database_code_amcsd 0013887
17.7600 18.0950 7.428 89.91 115.93 90.18 C-1
atom       x      y      z occ Biso
Cs1    .4950  .5982   .570 .14  4.5
Cs11   .5032  .5990   .442 .14  7.0
Cs2   -.0686  .0061  .7343 .35 4.02
Cs2'   .0530 -.0017   .151 .14  5.6
Cs3    .7631  .4992 -.0530 .75 1.65
Cs3'    .796  .5010  -.006 .14  2.4
Cs4    .0058  .5007  .5414 .42 2.62
Ca    -.0489  .4997  -.196 .10  2.1
Si1   .17853 .16966  .0983 .92  .86
Al1   .17853 .16966  .0983 .08  .86
Si11  .17828 .82858  .0960 .84  .85
Al11  .17828 .82858  .0960 .16  .85
Si2   .28386 .08912  .4910 .74  .84
Al2   .28386 .08912  .4910 .26  .84
Si21  .28449 .91038  .4908  .3 1.01
Al21  .28449 .91038  .4908  .7 1.01
Si3   .29198 .30874  .2860 .68  .87
Al3   .29198 .30874  .2860 .32  .87
Si31  .29229 .69228  .2865 .93  .79
Al31  .29229 .69228  .2865 .07  .79
Si4   .06757 .29865  .4170 .77  .93
Al4   .06757 .29865  .4170 .23  .93
Si41  .06688 .69985  .4197 .96  .86
Al41  .06688 .69985  .4197 .04  .86
Si5   .00070 .21926 -.0026 .69 1.10
Al5   .00070 .21926 -.0026 .31 1.10
O1     .2989  .0014  .5329     1.88
O2     .2332  .1206  .6132     1.60
O21    .2305  .8777  .6132     1.50
O3     .1895  .1561  .8953     1.98
O31    .1858  .8403  .8877     2.17
O4     .2278  .1020  .2494     1.99
O41    .2298  .8956  .2431     2.11
O5    -.0016  .3254  .4936     1.81
O6     .0799  .1631  .0486     1.91
O61    .0807  .8346  .0521     2.14
O7     .3783  .2707  .4514     2.09
O71    .3742  .7339  .4485     2.32
O8     .0160  .2749  .1834     2.35
O81    .0130  .7286  .1946     2.16
O9     .2152  .2492  .1984     1.82
O91    .2144  .7483  .1924     1.88
O10    .1245  .3714  .4338     2.12
O101   .1195  .6283  .4200     2.03
Wat1       0      0      0 .39 3.95
Wat2  -.0720  .4144   .028      9.4
Wat21 -.0776  .5874   .034     10.0
Wat3   -.072  -.008   .219 .16 3.95
Wat3'  -.063   .039   .249 .15 3.95
Wat3"  -.057  -.044   .283 .13 3.95
Wat4   -.126   .003   .309 .23 3.95
Wat7    .057   .026   .289 .31 3.95