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Ilimaussite-(Ce) |
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Ferraris G, Gula A, Zubkova N V, Pushcharovsky D Y, |
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Gobetchiya E R, Pekov I V, Eldjarn K |
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The Canadian Mineralogist 42 (2004) 787-795 |
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The crystal structure of ilimaussite-(Ce), |
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(Ba,Na)10K3Na4.5Ce5(Nb,Ti)[Si12O36][Si9O18(O,OH)24]O6, |
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and the "ilimaussite" problem |
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_database_code_amcsd 0005939 |
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10.770 10.770 61.05 90 90 120 R32 |
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atom x y z occ Uiso |
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Ce1 2/3 1/3 -.00005 .85 .027 |
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Fe1 2/3 1/3 -.00005 .15 .027 |
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Ce2 1/3 .0005 1/6 2/3 .048 |
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Fe2 1/3 .0005 1/6 1/3 .048 |
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Ba1 .0005 .3263 .1001 2/3 .044 |
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Na1 .0005 .3263 .1001 .22 .044 |
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K1 .0005 .3263 .1001 .12 .044 |
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Ba2 1/3 2/3 .0657 .85 .043 |
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Th2 1/3 2/3 .0657 .15 .043 |
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Ba3 2/3 1/3 .06561 .95 .037 |
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K3 2/3 1/3 .06561 .05 .037 |
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Nb .3439 .3427 .0844 .62 .038 |
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Ti .3439 .3427 .0844 .33 .038 |
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Fe .3439 .3427 .0844 .05 .038 |
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Na1 .489 .485 .0277 .5 .015 |
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Na2 .505 .505 0 .5 .05 |
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K1 0 0 .0728 .9 .029 |
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Ba1 0 0 .0728 .1 .029 |
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K2 0 0 0 .8 .042 |
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Sr2 0 0 0 .1 .042 |
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Ba2 0 0 0 .1 .042 |
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Si1 .3254 .168 .0386 .026 |
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Si2 .1562 .8297 .0387 .021 |
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Si3 .168 .167 .1302 .5 .016 |
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Si4 .333 .502 .1292 .5 .017 |
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Si5 .505 .331 .1292 .5 .018 |
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O1 .332 .175 .0670 .030 |
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O2 .486 .489 .0678 .041 |
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O3 .157 .822 .0673 .033 |
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O4 .175 .183 .1032 .037 |
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O5 .328 .473 .1022 .045 |
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O6 .486 .333 .1023 .040 |
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O7 .216 -.000 .0300 .039 |
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O8 .478 .220 .0267 .034 |
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O9 .264 .783 .0270 .03 |
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O10 .270 .273 .0281 .029 |
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OH11 2/3 1/3 .1290 .10 |
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OH12 .3439 .1962 .1390 .10 |
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OH13 .4768 .4690 .1360 .10 |
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OH14 .2077 .3422 .1380 .10 |
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OH15 0 0 .1290 .15 |
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OH16 1/6 1/3 .1290 .15 |
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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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