American Mineralogist Crystal Structure Database

1 matching records for this search.

Heulandite-Ca
 
Gunter M E, Armbruster T, Kohler T, Knowles C R
American Mineralogist 79 (1994) 675-682
Crystal structure and optical properties of Na- and Pb-exchanged
heulandite-group zeolites
Sample: nonexchanged
Atomic parameters from ICSD
_database_code_amcsd 0001668
17.671 17.875 7.412 90 116.39 90 C2/m
atom     x     y     z  occ  Biso
Na1  .1549     0 .6666 .228   6.3
Ca1  .1549     0 .6666  .44   6.3
Ca2  .5402     0 .2031 .484  2.74
K    .2763     0   .01  .03   9.9
Na2  .2763     0   .01 .097   9.9
Si1  .1794 .1698 .0967 .753  1.34
Al1  .1794 .1698 .0967 .247  1.34
Si2  .2886 .0899 .5008 .753  1.42
Al2  .2886 .0899 .5008 .247  1.42
Si3  .2917 .3096 .2831 .753  1.35
Al3  .2917 .3096 .2831 .247  1.35
Si4  .0646 .2984  .411 .753  1.34
Al4  .0646 .2984  .411 .247  1.34
Si5      0 .2131     0 .753   1.4
Al5      0 .2131     0 .247   1.4
O1   .3048     0 .5466        2.8
O2   .2313 .1194 .6132       3.05
O3   .1833 .1543 .8842       3.22
O4   .2385 .1065 .2555       2.45
O5       0 .3259    .5        3.4
O6    .082 .1587 .0626       2.22
O7   .3729  .266 .4508       3.26
O8   .0089 .2662 .1842       2.78
O9   .2103 .2542 .1783       2.64
O10  .1155 .3723 .3988       2.64
OH11 .2763     0   .01  .83   9.9
OH12    .5     0    .5        7.9
OH13 .4228 .0817 .0307        5.4
OH14  .094     0  .285       13.2
OH15  .082  .005  .867  .43 11.84
OH16     0 .0873    .5       20.5
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