American Mineralogist Crystal Structure Database

2 matching records for this search.

Heulandite-Na
 
Gunter M E, Armbruster T, Kohler T, Knowles C R
Download am/vol79/AM79_675.pdf
American Mineralogist 79 (1994) 675-682
Crystal structure and optical properties of Na- and Pb-exchanged
heulandite-group zeolites
Sample: Na-exchanged
Atomic parameters from ICSD
_database_code_amcsd 0001669
17.767 17.977 7.422 90 116.14 90 C2/m
atom     x     y     z  occ  Biso
Na1  .1726     0  .689  .80  10.3
Na2  .5392     0  .243  .84   7.3
Na3  .2839     0  .029  .16  16.1
Si1  .1788 .1698 .0958 .753  1.49
Al1  .1788 .1698 .0958 .247  1.49
Si2  .2864 .0892 .4949 .753  1.53
Al2  .2864 .0892 .4949 .247  1.53
Si3  .2905 .3098 .2826 .753  1.52
Al3  .2905 .3098 .2826 .247  1.52
Si4  .0673 .2978 .4171 .753  1.52
Al4  .0673 .2978 .4171 .247  1.52
Si5      0 .2165     0 .753   1.6
Al5      0 .2165     0 .247   1.6
O1   .3026     0  .537        2.4
O2   .2341 .1197 .6182       3.23
O3   .1879 .1556  .891         4.
O4   .2311 .1033 .2498       2.79
O5       0 .3218    .5        3.8
O6   .0807 .1609 .0493       2.83
O7   .3737 .2686 .4492       3.37
O8   .0145 .2709 .1862        3.4
O9   .2123 .2521 .1875       2.93
O10  .1199 .3719 .4212       2.99
OH11 .2839     0  .029  .68  16.1
OH12    .5     0    .5       13.6
OH13  .422 .0814  .035       13.1
OH14  .074     0   .04  .56  26.9
OH15  .082     0  .271       25.4
OH16  .072 -.029  .758  .37 11.84
O17      0    .1    .5       22.2
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View JMOL 3-D Structure (permalink)
 
Heulandite-Na
 
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 0013884
17.6770 17.931 7.426 90 116.47 90 C2/m
atom       x      y      z occ  Biso
Na1     .025  -.091   .481 .13   8.0
Na3     .179      0   .676 .58   2.6
Na4    .0358   .485   .250 .29   3.3
Ca1     .156      0   .680 .22   3.6
Ca2    .5420      0   .194 .16   1.4
Al1   .17931 .17025 .09656 .23  .948
Si1   .17931 .17025 .09656 .77  .948
Al2   .28931 .08985  .5006 .42  1.12
Si2   .28931 .08985  .5006 .58  1.12
Al3   .29150 .31041 .28324  .2  .940
Si3   .29150 .31041 .28324  .8  .940
Al4   .06468 .29752 .41023 .15 1.051
Si4   .06468 .29752 .41023 .85 1.051
Al5        0 .21311      0 .15  1.01
Si5        0 .21311      0 .85  1.01
O1     .3058      0  .5423      2.21
O2     .2323  .1181  .6157      1.98
O3     .1811  .1545  .8823      2.27
O4     .2387  .1072  .2539      1.98
O5         0  .3242     .5      2.39
O6     .0818  .1587  .0646      1.63
O7     .3717  .2666  .4541      2.82
O8     .0079  .2666  .1831      2.27
O9     .2099  .2551  .1765      1.68
O10    .1148  .3719  .3973      2.03
Wat1   .2203     .5 -.0155 .96  3.53
Wat2   .4264  .0745  .0244 .66   4.1
Wat3    .083      0   .873 .34 12.07
Wat4       0     .5     .5       8.0
Wat5   .0606 -.0376   .708 .33   3.6
Wat6   .0938      0   .285 .58   3.4
Wat7    .418   .459   .643 .14   4.9
Wat8   -.092   .601   .090 .24   4.7
Wat9    .067      0    .15 .16  7.90
Wat10   .219      0    .90 .07  7.90
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
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