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Phillipsite |
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Gatta G D, Cappelletti P, Rotiroti N, Slebodnick C, Rinaldi R |
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American Mineralogist 94 (2009) 190-199 |
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New insights into the crystal structure and crystal chemistry of the zeolite |
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phillipsite |
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Locality: "Newer Volcanic Suite," Richmond, Melbourne, Victoria, Australia |
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Note: T = 298 K |
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Note: Chemistry and structural occupancy are not consistent |
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_database_code_amcsd 0004834 |
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9.9238 14.3145 8.7416 90 124.920 90 P2_1/m |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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K1 .8674 .25 .226 .58 .0543 .078 .023 .065 0 .042 0 |
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K2 .8451 .25 .187 .30 .059 .057 .035 .112 0 .064 0 |
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Na .6682 .37452 .5593 .36 .0324 .0334 .0416 .0267 -.0131 .0199 -.0075 |
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Ca .6682 .37452 .5593 .16 .0324 .0334 .0416 .0267 -.0131 .0199 -.0075 |
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Al1 .72527 .00683 .28477 .375 .01380 .0123 .0156 .0122 .0007 .0063 -.0008 |
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Al2 .42172 .13923 .04494 .375 .01350 .0122 .0122 .0145 .0010 .0067 -.0003 |
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Al3 .04307 .02522 .28043 .375 .01287 .0142 .0139 .0112 -.0017 .0077 -.0009 |
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Al4 .08288 .14052 .00296 .375 .01359 .0166 .0112 .0156 -.0009 .0108 -.0005 |
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Si1 .72527 .00683 .28477 .625 .01380 .0123 .0156 .0122 .0007 .0063 -.0008 |
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Si2 .42172 .13923 .04494 .625 .01350 .0122 .0122 .0145 .0010 .0067 -.0003 |
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Si3 .04307 .02522 .28043 .625 .01287 .0142 .0139 .0112 -.0017 .0077 -.0009 |
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Si4 .08288 .14052 .00296 .625 .01359 .0166 .0112 .0156 -.0009 .0108 -.0005 |
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O1 .0615 .11290 .1724 .0250 .0347 .0237 .0235 -.0004 .0207 .0036 |
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O2 .6291 .58688 .1499 .0261 .0326 .0239 .0221 .0050 .0158 .0056 |
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O3 .5947 .09597 .2286 .0276 .0204 .0280 .0241 .0072 .0067 -.0010 |
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O4 .0399 .92452 .1868 .0267 .0306 .0196 .0251 -.0006 .0130 -.0060 |
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O5 .8771 .04490 .2722 .0262 .0247 .0282 .0331 -.0015 .0207 -.0008 |
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O6 .2793 .37402 .0853 .0299 .0237 .0350 .0358 -.0020 .0197 -.0015 |
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O7 .7927 .52202 .5036 .0249 .0211 .0333 .0152 .0012 .0074 -.0020 |
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O8 .5455 .75 -.0257 .0275 .0360 .0148 .0336 0 .0211 0 |
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O9 .0224 .25 -.0610 .0276 .0343 .0160 .0269 0 .0143 0 |
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Wat1 1.2177 .25 .5627 .91 .081 .130 .042 .047 0 .036 0 |
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Wat2 .2129 .75 .4774 .95 .088 .060 .127 .039 0 .007 0 |
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Wat3 .3513 .6450 .1717 .87 .110 .070 .180 .095 .005 .055 -.006 |
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Wat4 .582 .786 .568 .29 .066 .032 .093 .047 .003 .008 -.008 |
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Wat4 .545 .735 .551 .14 .051 |
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Wat5 .5209 .9854 .5421 .432 .084 .076 .116 .096 .009 .071 .042 |
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Wat6 .5984 .8864 .5662 .30 .133 .075 .189 .058 -.070 -.008 .064 |
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| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
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Phillipsite |
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Gatta G D, Cappelletti P, Rotiroti N, Slebodnick C, Rinaldi R |
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American Mineralogist 94 (2009) 190-199 |
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New insights into the crystal structure and crystal chemistry of the zeolite |
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phillipsite |
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Locality: "Newer Volcanic Suite," Richmond, Melbourne, Victoria, Australia |
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Note: T = 100 K |
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Note: Chemistry and structural occupancy are not consistent |
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_database_code_amcsd 0004835 |
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9.8511 14.2476 8.6422 90 124.319 90 P2_1/m |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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K1 .85967 .25 .2279 .796 .0299 .0300 .0147 .0432 0 .0196 0 |
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K2 .822 .25 .138 .075 .028 .023 .026 .047 0 .027 0 |
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Na1 .39299 .37620 .5585 .35 .0235 .0152 .0318 .0192 .0023 .0071 -.0068 |
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Ca1 .39299 .37620 .5585 .15 .0235 .0152 .0318 .0192 .0023 .0071 -.0068 |
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Na2 .4560 .3150 .656 .045 .058 |
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Ca2 .4560 .3150 .656 .025 .058 |
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Al1 .73740 .02709 .28032 .375 .00971 .00852 .00999 .00851 .00073 .00352 -.00092 |
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Al2 .42066 .14079 -.00085 .375 .01058 .01106 .01159 .00986 -.00117 .00619 -.00032 |
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Al3 .06192 .00519 .28590 .375 .01068 .01106 .01159 .00986 -.00117 .00619 -.00032 |
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Al4 .12529 .13921 .04726 .375 .01030 .01173 .00958 .01115 -.00097 .00739 .00008 |
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Si1 .73740 .02709 .28032 .625 .00971 .00852 .00999 .00851 .00073 .00352 -.00092 |
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Si2 .42066 .14079 -.00085 .625 .01058 .01106 .01159 .00986 -.00117 .00619 -.00032 |
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Si3 .06192 .00519 .28590 .625 .01068 .01106 .01159 .00986 -.00117 .00619 -.00032 |
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Si4 .12529 .13921 .04726 .625 .01030 .01173 .00958 .01115 -.00097 .00739 .00008 |
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O1 .13911 .09415 .23177 .02237 .0293 .0225 .0188 -.0077 .0157 -.0012 |
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O2 .64477 .57363 .18824 .02025 .0232 .0147 .0203 .0033 .0108 .0037 |
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O3 .61319 .11578 .16950 .01856 .0138 .0167 .0179 .0026 .0045 .0020 |
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O4 .02204 .91187 .14892 .02034 .0198 .0193 .0166 -.0004 .0070 -.0028 |
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O5 .89803 .04451 .27452 .01971 .0160 .0207 .0232 .0011 .0115 -.0010 |
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O6 .30724 .37356 .08322 .0239 .0196 .0280 .0293 .0001 .0169 -.0007 |
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O7 .78704 .47439 .49591 .01927 .0189 .0253 .0121 -.0031 .0079 -.0016 |
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O8 .58790 .75 .0709 .0219 .0282 .0152 .0186 0 .0110 0 |
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O9 .07278 .25 .0317 .0212 .0222 .0127 .0251 0 .0110 0 |
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Wat1 1.2322 .25 .5194 .895 .0537 .0521 .089 .0222 0 .0222 0 |
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Wat2 .1594 .75 .4340 .873 .0347 .0419 .0204 .0276 0 .0110 0 |
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Wat3 .3190 .8485 .1715 .748 .0717 .0485 .101 .083 .0033 .0476 .0116 |
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Wat4 .4937 .7787 .5669 .393 .0499 .0303 .088 .0295 -.0094 .0154 .0040 |
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Wat5 .5196 .9840 .5356 .441 .074 .031 .092 .100 .0298 .037 .035 |
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Wat6 .4852 .8954 .5800 .277 .073 .084 .111 .029 .076 .035 .031 |
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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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Phillipsite-Na |
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Steinfink H |
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Acta Crystallographica 15 (1962) 644-651 |
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The crystal structure of the zeolite, phillipsite |
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Locality: pelagic sediments of the Pacific Ocean |
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_database_code_amcsd 0009270 |
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9.965 14.252 14.252 90 90 90 B2mb |
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atom x y z occ Biso |
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Na1 .0054 .25 .8600 .5 3.5 |
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Na2 .3871 .1242 -.0001 .75 5.5 |
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K1 .0054 .25 .8600 .5 3.5 |
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Al1 .1517 .0165 .8920 .31 2.0 |
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Si1 .1517 .0165 .8920 .69 2.0 |
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Al2 .8340 .0170 .8903 .31 2.0 |
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Si2 .8340 .0170 .8903 .69 2.0 |
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Al3 .3356 .8610 .2376 .31 2.1 |
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Si3 .3356 .8610 .2376 .69 2.1 |
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Al4 .6477 .8597 .2366 .31 2.0 |
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Si4 .6477 .8597 .2366 .69 2.0 |
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O1 .8159 .0854 .1599 2.8 |
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O2 .7659 .1027 .8435 3.6 |
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O3 .2519 .1012 .8514 3.2 |
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O4 .1815 .0773 .1717 2.4 |
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O5 .9996 .0469 .8872 2.7 |
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O6 .5035 .8751 .2029 3.0 |
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O7 .1945 0 0 2.0 |
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O8 .7860 0 0 3.0 |
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O9 .3187 .25 .7385 3.2 |
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O10 .6972 .25 .7491 4.3 |
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Wat1 .5356 .25 .9848 6.6 |
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Wat2 .6202 .1377 .0379 .5 5.2 |
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Wat3 .5030 .1267 .1572 .5 6.6 |
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Wat4 .3871 .1242 -.0001 .25 5.5 |
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Wat5 .2000 .25 .0261 .5 1.9 |
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Wat6 .8205 .25 .0263 .5 3.4 |
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Wat7 .5368 .25 .8107 .5 6.6 |
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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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Phillipsite-Ca |
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Rinaldi R, Pluth J J, Smith J V |
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Acta Crystallographica B30 (1974) 2426-2433 |
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Zeolites of the phillipsite family. Refinement of the crystal structure of |
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phillipsite and harmotome |
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_database_code_amcsd 0009518 |
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9.865 14.300 8.668 90 124.20 90 P2_1/m |
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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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K .8480 .25 .2076 2.4 .016524 .002323 .031131 0 .013933 0 |
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Ca .6080 .6262 .4401 .41 2.14 .006009 .004279 .009728 .000921 .001923 -.001609 |
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Al1 .7362 .0248 .2805 .334 1.08 |
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Si1 .7362 .0248 .2805 .666 1.08 |
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Al2 .4206 .1409 .0019 .334 1.06 |
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Si2 .4206 .1409 .0019 .666 1.06 |
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Al3 .0604 .0078 .2844 .334 1.11 |
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Si3 .0604 .0078 .2844 .666 1.11 |
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Al4 .1204 .1396 .0421 .334 1.14 |
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Si4 .1204 .1396 .0421 .666 1.14 |
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O1 .1335 .0976 .2289 2.04 |
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O2 .6445 .5766 .1878 1.94 |
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O3 .6100 .1130 .1728 1.89 |
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O4 .0254 .9154 .1494 1.85 |
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O5 .8957 .0440 .2713 2.06 |
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O6 .3022 .3738 .0783 2.32 |
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O7 .7872 .4795 .4982 1.9 |
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O8 .5814 .75 .0616 1.94 |
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O9 .0665 .25 .0196 2.12 |
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Wat1 .7551 .75 .4733 7.8 .031545 .011125 .013620 0 .012394 0 |
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Wat2 .1552 .75 .4382 7.3 .036802 .005379 .019457 0 .005129 0 |
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Wat3 .3208 .8525 .174 8.8 .019903 .017727 .030158 -.001714 .014104 -.002682 |
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Wat4 .5085 .25 .4384 18.7 .016148 .069686 .013620 0 .009403 0 |
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Wat5 .5 .5 .5 16.6 .018026 .029830 .085609 .006857 .034619 .026581 |
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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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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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_database_code_amcsd 0012860 |
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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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| 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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