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