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Willhendersonite |
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Fischer R X, Kahlenberg V, Lengauer C L, Tillmanns E |
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American Mineralogist 93 (2008) 1317-1325 |
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Thermal behavior and structural transformation in the chabazite-type zeolite |
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willhendersonite, KCaAl3Si3O12*5H2O |
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Locality: Mayen, Eifel district, Germany |
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Note: Room temperature |
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_database_code_amcsd 0004627 |
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9.248 9.259 9.533 92.313 92.761 89.981 P-1 |
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atom x y z occ Uiso |
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K1 .4754 .890 .4712 .23 .049 |
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K2 .4909 .4542 .8534 .5 .077 |
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K3 .886 .4882 .4613 .41 .060 |
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Ca .2002 .2008 .2038 .982 .0162 |
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Al12a .3432 .0926 .8508 .0128 |
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Al12b .8886 .3130 .0907 .0130 |
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Al12c .0905 .8476 .3424 .0126 |
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Si11a .3127 .8942 .1065 .0130 |
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Si11b .1082 .3443 .8547 .0124 |
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Si11c .8504 .1035 .3398 .0130 |
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O11 .7454 .2443 .9851 .0185 |
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O12 .6930 .0565 .2683 .0173 |
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O13 .9740 .3157 .7390 .0160 |
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O21 .1529 .5125 .8497 .0187 |
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O22 .4753 .8617 .1663 .0188 |
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O23 .8277 .1878 .4915 .0166 |
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O31 .2493 .2505 .8179 .0172 |
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O32 .9366 .2099 .2381 .0173 |
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O33 .7864 .0641 .7602 .0182 |
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O41 .0569 .3044 .0110 .0175 |
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O42 .3054 .0438 .0209 .0187 |
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O43 .0574 .0410 .6366 .0169 |
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Wat1 .2259 .4601 .2606 .038 |
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Wat2 .4595 .2505 .2399 .041 |
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Wat3 .2221 .2087 .4583 .038 |
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Wat4 .4761 .784 .443 .77 .085 |
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Wat5 .763 .475 .434 .52 .073 |
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Wat6 .485 .584 .436 .45 .09 |
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Wat7 .569 .489 .452 .37 .14 |
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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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Willhendersonite |
|
Fischer R X, Kahlenberg V, Lengauer C L, Tillmanns E |
|
American Mineralogist 93 (2008) 1317-1325 |
|
Thermal behavior and structural transformation in the chabazite-type zeolite |
|
willhendersonite, KCaAl3Si3O12*5H2O |
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Locality: Mayen, Eifel district, Germany |
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Note: T = 373K |
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_database_code_amcsd 0004628 |
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9.205 9.231 9.442 92.550 93.086 90.519 P-1 |
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atom x y z occ Uiso |
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K1 .4781 .974 .4832 .427 .064 |
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K2 .4928 .5576 .140 .096 |
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K3 .491 .546 .047 .11 .11 |
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Ca .2048 .2078 .2120 .987 .0201 |
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Al12a .3463 .0965 .8525 .0152 |
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Al12b .8924 .3109 .0921 .0156 |
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Al12c .0895 .8470 .3430 .0153 |
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Si11a .3117 .8999 .1110 .0154 |
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Si11b .1114 .3484 .8565 .0149 |
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Si11c .8509 .1025 .3398 .0147 |
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O11 .7517 .2362 .9842 .0234 |
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O12 .6924 .0555 .2649 .0203 |
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O13 .9738 .3151 .7442 .0193 |
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O21 .1578 .5169 .8502 .0228 |
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O22 .4725 .8616 .1723 .0239 |
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O23 .8245 .1866 .4919 .0211 |
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O31 .2526 .2543 .8196 .0193 |
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O32 .9417 .2056 .2386 .0203 |
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O33 .7884 .0559 .7562 .0217 |
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O41 .0633 .3110 .0162 .0214 |
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O42 .3122 .0509 .0267 .0227 |
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O43 .0614 .0450 .6340 .0201 |
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Wat1 .2281 .4660 .2773 .054 |
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Wat2 .4675 .2578 .2507 .055 |
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Wat3 .2398 .2094 .4727 .048 |
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Wat4 .2957 .5382 .5874 .82 .091 |
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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) |
| |
|
Willhendersonite |
|
Fischer R X, Kahlenberg V, Lengauer C L, Tillmanns E |
|
American Mineralogist 93 (2008) 1317-1325 |
|
Thermal behavior and structural transformation in the chabazite-type zeolite |
|
willhendersonite, KCaAl3Si3O12*5H2O |
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Locality: Mayen, Eifel district, Germany |
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Note: T = 423K |
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_database_code_amcsd 0004629 |
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9.411 9.411 9.411 91.48 91.48 91.48 R-3 |
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atom x y z occ Uiso |
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K1 .5470 .543 .017 .307 .087 |
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Ca1 0 0 0 .273 .0214 |
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Ca2 .543 .625 .011 .172 .16 |
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Ca3 .649 .539 -.051 .052 .04 |
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Al12 .3294 .0830 .8596 .0232 |
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Si11 .1002 .3249 .8621 .0222 |
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O1 .2982 .7098 .0155 .0335 |
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O2 .1099 .8731 .5090 .0376 |
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O3 .2513 .2479 .8657 .0343 |
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O4 -.0155 .0003 .2545 .0271 |
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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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Willhendersonite |
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Tillmanns E, Fischer R X, Baur W H |
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Neues Jahrbuch fur Mineralogie, Monatshefte 1984 (1984) 547-558 |
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Chabazite-type framework in the new zeolite willhendersonite, KCaAl3Si3O12*5H2O |
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_database_code_amcsd 0014793 |
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9.206 9.216 9.500 92.34 92.70 90.12 P-1 |
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atom x y z occ Biso |
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KX5A .4770 .871 .4683 .5 10.3 |
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KX5C .1162 .5121 .5392 .5 7.2 |
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CaX1 .2006 .2013 .2042 .84 |
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AlT1 .6565 .9071 .1492 .52 |
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SiT2 .3122 .8948 .1067 .53 |
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AlT3 .0902 .8477 .3425 .51 |
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SiT4 .1086 .3444 .8549 .50 |
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AlT5 .8890 .3128 .0910 .54 |
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SiT6 .8505 .1034 .3399 .49 |
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O1A .7466 .2439 .9846 .9 |
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OlB .6936 .0554 .2681 .8 |
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O1C .9739 .3151 .7392 .8 |
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O2A .1532 .5129 .8495 .9 |
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O2B .4749 .8624 .1662 .9 |
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O2C .8276 .1874 .4908 .7 |
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O3A .2503 .2518 .8179 .9 |
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O3B .9360 .2087 .2381 .7 |
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O3C .7877 .0636 .7599 .9 |
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O4A .0575 .3043 .0106 .9 |
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O4B .3053 .0441 .0213 .9 |
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O4C .0577 .0406 .6363 .8 |
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WatX2A .531 .250 .569 .5 4.9 |
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WatX2C .742 .472 .427 .5 4.9 |
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WatX5B .5073 .5473 .1451 5.2 |
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WatX6A .7759 .7913 .5410 2.5 |
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WatX6B .5393 .7482 .7601 2.8 |
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WatX6C .2259 .4609 .2608 2.6 |
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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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