American Mineralogist Crystal Structure Database

1 matching records for this search.

AlPO4-15
 
Aubert E, Porcher F, Souhassou M, Lecomte C
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=59&spage=687
Acta Crystallographica B59 (2003) 687-700
Characterization of the intra-framework and guest/host interactions in
the AlPO4-15 molecular sieve by charge-density analysis
Note: zeolite
_database_code_amcsd 0009930
9.556 9.563 9.615 90 103.58 90 P2_1/n
atom       x       y       z   Uiso U(1,1) U(2,2) U(3,3)  U(1,2)  U(1,3)  U(2,3)
P1   .301122 .532947 .151339 .00286 .00269 .00301 .00288 -.00020  .00065  .00016
P2   .794553 .808911 .136246 .00280 .00267 .00285 .00263 -.00014  .00011  .00001
Al1  .613765 .537615 .127745 .00313 .00293 .00345 .00288 -.00011  .00044 -.00014
Al2  .393032 .229762 .184785 .00327 .00298 .00359 .00296 -.00019  .00015 -.00008
O1    .45676  .58656  .20305 .00426 .00301 .00517 .00459 -.00106  .00085 -.00055
O2    .19288  .62927  .19356 .00485 .00466 .00528 .00497 -.00086  .00184  .00185
O3    .26278  .52050 -.01400 .00426 .00417 .00584 .00276 -.00048  .00078  .00070
O4    .28927  .38662  .21529 .00429 .00487 .00320 .00516  .00068  .00190  .00029
O5    .95422  .76935  .16548 .00485 .00297 .00675 .00437 -.00015 -.00006  .00136
O6    .77919  .95029  .20925 .00437 .00481 .00359 .00418 -.00141 -.00003  .00027
O7    .70821  .69936  .19652 .00483 .00580 .00403 .00469 -.00013  .00129 -.00189
O8    .73961  .82479 -.02469 .00476 .00518 .00585 .00250  .00006 -.00058 -.00055
O9    .49666  .36443  .05453 .00439 .00413 .00453 .00448 -.00044  .00098  .00059
O10   .50018  .06728  .14699 .00683 .00491 .00631 .00889 -.00198  .00084  .00096
O11   .31887  .85681  .03809 .00893 .01051 .00863 .00823  .00091  .00336 -.00036
N     .98742  .30853  .10266 .00779 .00693 .00947 .00683  .00152  .00134  .00044
H1     .5608   .2984   .0206  .0084
H2     .4449  -.0098   .0992   .013
H3     .5961   .0363   .1889   .013
H4     .2668   .8587   .1118   .015
H5     .2650   .9090  -.0409  .0145
H6     .9988   .2780   .0066   .013
H7     .8975   .3652   .0898  .0144
H8     .9910   .2261   .1671   .013
H9     .0756   .3634   .1466   .013
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