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Liottite |
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Ballirano P, Merlino S, Bonaccorsi E, Maras A |
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The Canadian Mineralogist 34 (1996) 1021-1030 |
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The crystal structure of liottite, a six-layer member of the cancrinite group |
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_database_code_amcsd 0005509 |
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12.870 12.870 16.096 90 90 120 P-6 |
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atom x y z occ Uiso |
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Si1 .9954 .7437 0 .0077 |
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Al1 .3339 .4088 .83304 .0081 |
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Si2 .67182 .08217 .66374 .0075 |
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Al2 .3364 .4097 .5 .0071 |
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Si3 .58517 .66611 .83287 .0077 |
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Al3 .7378 .7488 0 .0076 |
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Si4 .5873 .6700 .5 .0072 |
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Al4 .9282 .3431 .66345 .0079 |
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O1 .8771 .1258 0 .0250 |
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O2 .1025 .8798 0 .0207 |
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O3 .9943 .6706 .9182 .0190 |
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O4 .6631 .6698 .9119 .0203 |
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O5 .2179 .7886 .8253 .0209 |
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O6 .4501 .5552 .8386 .0209 |
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O7 .3463 .3310 .7491 .0179 |
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O8 .6574 .6560 .7543 .0193 |
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O9 .5464 .4367 .6545 .0170 |
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O10 .7933 .2105 .6632 .0266 |
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O11 .6772 .0062 .5856 .0179 |
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O12 .6659 .6735 .5794 .0177 |
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O13 .2173 .7836 .5 .0197 |
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O14 .4540 .5557 .5 .0148 |
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Ca1 1/3 2/3 .5 .0162 |
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Ca2 1/3 2/3 .8330 .0172 |
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Ca3 0 0 .9783 .5 .0219 |
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Ca4 2/3 1/3 .3915 .5 .0191 |
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Ca5 2/3 1/3 .3436 .5 .0294 |
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K1 .8463 .1651 .5 .0170 |
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K1a .857 .143 .5 .0170 |
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K2 .1125 .8864 .6651 .0392 |
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K2a .145 .851 .675 .0392 |
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K3 .8364 .1722 .8313 .0248 |
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K3a .816 .191 .847 .0248 |
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K4 .5543 .4458 0 .0338 |
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F .7476 .2700 .5 .167 .0256 |
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Cl1 1/3 2/3 0 .0732 |
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Cl2 2/3 1/3 .5 .5 .1608 |
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Cl3 1/3 2/3 .3335 .0742 |
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S1 0 0 .7971 .5 .0172 |
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S1' .977 .013 .7874 .167 .0338 |
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S2 .0357 .017 .5 1/3 .0348 |
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S3 2/3 1/3 .8568 .0410 |
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OS1a 0 0 .886 .5 .1005 |
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OS1b .1213 .0582 .7676 2/3 .0738 |
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OS1c .056 .094 .723 1/6 .1154 |
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OS1d .119 .054 .845 1/3 .0864 |
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OS2a .119 .058 .426 1/3 .0649 |
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OS2b .110 .051 .479 1/3 .1349 |
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OS3a 2/3 1/3 .2409 .5 .0350 |
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OS3b .7285 .4595 .8789 2/3 .0366 |
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OS3c .692 .298 .211 1/6 .0931 |
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OS3d .728 .288 .913 1/3 .1281 |
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