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Phillipsite-K |
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Gualtieri A F |
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Journal of Applied Crystallography 33 (2000) 267-278 |
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Accuracy of XRPD QPA using the combined Rietveld-RIR method |
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Locality: Vallerano, Rome, Italy |
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9.8881 14.4040 8.6848 90 124.2711 90 P2_1/m |
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atom x y z occ Uiso |
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K1 .8428 .25 .1876 .85 .037 |
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Ca2 .5873 .6261 .4148 .185 .067 |
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K2 .5873 .6261 .4148 .185 .067 |
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Na3 .5592 .1378 .4014 .205 .051 |
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Ca3 .5592 .1378 .4014 .205 .051 |
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Si1 .7389 .0256 .2824 .6 .019 |
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Al1 .7389 .0256 .2824 .4 .019 |
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Si2 .4107 .1419 .0060 .6 .031 |
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Al2 .4107 .1419 .0060 .4 .031 |
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Si3 .0525 .0038 .2749 .6 .029 |
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Al3 .0525 .0038 .2749 .4 .029 |
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Si4 .1149 .1394 .0511 .6 .041 |
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Al4 .1149 .1394 .0511 .4 .041 |
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O1 .1386 .0926 .2425 .02 |
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O2 .6615 .5708 .1847 .03 |
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O3 .6078 .1063 .1655 .069 |
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O4 .0307 .9164 .1531 .014 |
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O5 .8918 .0495 .2642 .067 |
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O6 .3013 .3666 .0929 .07 |
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O7 .8172 .4877 .5020 .038 |
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O8 .5659 .75 .0216 .038 |
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O9 .0578 .25 .0199 .03 |
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Wat1 .7776 .75 .5288 .78 .02 |
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Wat2 .1891 .75 .4947 .88 .06 |
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Wat3 .3413 .8589 .1736 .90 .12 |
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Wat4 .4420 .25 .4497 .04 |
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Wat5 .5 .5 .5 .67 .09 |
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