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Faujasite-Ca |
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Bennett J M, Smith J V |
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Materials Research Bulletin 3 (1968) 933-940 |
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Positions of cations and molecules in zeolites with the faujasite-type |
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framework III. Hydrated Ca-exchanged faujasite |
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Locality: Sasbach, Kaiserstuhl, Germany |
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_database_code_amcsd 0014217 |
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24.710 24.710 24.710 90 90 90 *Fd-3m |
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.125 .125 .125 |
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atom x y z occ Biso |
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SiT .9639 .8745 .0536 .703 .9 |
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AlT .9639 .8745 .0536 .297 .9 |
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O1 .1057 .8943 0 2.3 |
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O2 .0027 .0027 .8573 1.8 |
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O3 .9237 .9237 .0325 2.0 |
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O4 .9284 .9284 .6775 1.9 |
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O5 .2738 .2738 .2738 .731 11.4 |
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Ca1 .0692 .0692 .0692 .303 2.3 |
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Ca2 .1666 .1666 .1666 .359 4.7 |
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Ca3 .4836 .4836 .4836 .069 3.4 |
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Wat .4410 .4410 .5750 .298 6.6 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
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Faujasite-Ca |
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Pluth J J, Smith J V |
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Materials Research Bulletin 7 (1972) 1311-1322 |
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Positions of cations and molecules in zeolites with the faujasite-type |
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framework VII. Dehydrated Ca-exchanged X |
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Locality: synthetic |
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Note: dehydrated under vacuum at 500 C, measured at room temperature |
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_database_code_amcsd 0014223 |
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24.9686 24.9686 24.9686 90 90 90 *Fd-3m |
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.125 .125 .125 |
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atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Ca1 0 0 0 .831 1.32 .00054 .00054 .00054 .00010 .00010 .00010 |
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Ca1' .05897 .05897 .05897 .156 2.32 .00210 .00210 .00210 .00005 .00005 .00005 |
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Ca2 .22366 .22366 .22366 .781 3.11 .00138 .00138 .00138 .00067 .00067 .00067 |
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SiT .12277 -.05542 .03506 .6 1.01 .00041 .00054 .00042 -.00000 -.00011 .00000 |
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AlT .12277 -.05542 .03506 .4 1.01 .00041 .00054 .00042 -.00000 -.00011 .00000 |
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O1 -.10974 0 .10974 1.86 .00070 .00081 .00070 -.00007 .00007 -.00007 |
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O2 .25330 .25330 .14167 1.67 .00068 .00068 .00073 .00009 .00012 .00012 |
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O3 .18469 .18469 -.03598 1.69 .00075 .00075 .00073 .00010 -.00014 -.00014 |
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O4 .17266 .17266 .31077 2.34 .00099 .00099 .00101 .00043 -.00024 -.00024 |
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| 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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