American Mineralogist Crystal Structure Database

1 matching records for this search.

Clinoptilolite-Ca
 
Armbruster T
American Mineralogist 78 (1993) 260-264
Dehydration mechanism of clinoptilolite and heulandite: Single-crystal X-ray
study of Na-poor, Ca-, K-, Mg-rich clinoptilolite at 100 K
Sample Dehyd 1
Data obtained from the ICSD
_database_code_amcsd 0001548
17.588 17.572 7.389 90 116.77 90 C2/m
atom     x     y      z  occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Si1  .1803 .1655  .0958   .8       .0133  .0287  .0182 -.0025  .0085  .0012
Al1  .1803 .1655  .0958   .2       .0133  .0287  .0182 -.0025  .0085  .0012
Si2  .2941 .0896   .506   .7       .0232  .0185  .0221 -.0006  .0126  .0001
Al2  .2941 .0896   .506   .3       .0232  .0185  .0221 -.0006  .0126  .0001
Si3  .2879 .3127  .2758  .83       .0211  .0262  .0180 -.0003  .0118  .0003
Al3  .2879 .3127  .2758  .17       .0211  .0262  .0180  .0211  .0118  .0003
Si4  .0651 .2915  .4132  .84       .0181  .0298  .0186 -.0026  .0096 -.0011
Al4  .0651 .2915  .4132  .16       .0181  .0298  .0186 -.0026  .0096 -.0011
Si5      0 .2075      0  .92       .0167  .0259  .0172      0  .0071      0
Al5      0 .2075      0  .08       .0167  .0259  .0172      0  .0071      0
O1   .3159     0  .5552            .0680  .0230  .0440      0  .0160      0
O2   .2418 .1179  .6282            .0640  .0610  .0650 -.0100  .0510 -.0220
O3   .1885 .1464 -.1109            .0400  .0470  .0300 -.0140  .0200 -.0060
O4   .2394  .103  .2607       .05  .0260  .0450  .0280  .0070  .0060  .0070
O5       0 .3167     .5            .0800  .0740  .0710      0  .0680      0
O6    .082 .1537  .0555            .0170  .0350  .0400  .0000  .0150  .0030
O7   .3703  .272  .4495            .0470  .0490  .0510  .0100 -.0040  .0210
O8   .0116 .2615  .1858            .0450  .0530  .0300  .0010  .0100 -.0190
O9   .2107 .2525  .1688            .0310  .0290  .0370 -.0080  .0220 -.0050
O10  .1137 .3681  .4038            .0370  .0500  .0470 -.0180  .0130  .0020
Na    .195     0    .76  .28       .0900  .0200  .0800      0  .0600      0
Ca   .4632     0   .748 .222       .0460  .0740  .0500      0 -.0050      0
Ba   .2413    .5   .057  .08       .1220  .0190  .0870      0  .0750      0
K1   .2413    .5   .057  .33       .1220  .0190  .0870      0  .0750      0
K2     .23     0  -.011  .06 0.05
K3    .215     0    .14  .03 0.05
OH11  .083     0   .878  .36       .0800  .0400  .1400      0 -.0100      0
OH12  .433  .918   .037  .41       .4400  .1300  .1200  .1100 -.1300 -.0500
OH13     0    .5     .5  .62       .1800  .1400  .2400      0  .1400      0
OH14  .101     0   .112  .19
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Download in:

Multiple datasets can be concatenated into a single downloadable file by selecting the datasets and then clicking

Multiple datasets can be downloaded as individual files inside a ZIP archive by selecting the datasets and then clicking

Total number of retrieved datasets: 1
View in html, download in amc

Return to AMCSD Home Page