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Catapleiite |
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Ilyushin G D, Voronkov A A, Ilyukhin V V, Nevskii N N, Belov N V |
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Doklady Akademii Nauk SSSR 260 (1981) 623-627 |
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Crystal structure of natural monoclinic catapleiite, Na2ZrSi3O9*2H2O |
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_database_code_amcsd 0012471 |
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23.917 20.148 7.432 90 90 147.46 B2/b |
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atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Na1 0 0 .5 .6667 .043819 .026807 .030703 .029042 -.001815 -.000371 |
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Na2 .25 0 .25 .6667 .066577 .046442 .053624 .043788 -.004157 .006252 |
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Na3 .25 0 .75 .6667 .010880 .005263 .023545 .006437 .002989 -.003729 |
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Na4 0 .25 .5059 .6667 .032274 .039731 .019321 .034390 .000000 .000000 |
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Na5 .2531 .2550 .7568 .6667 .026275 .030369 .028683 .026057 .004562 .010089 |
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Zr1 0 0 0 .013546 .011689 .012244 .011243 .000282 -.000093 |
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Zr2 0 .25 .0074 .012794 .010974 .011236 .010471 .000000 .000000 |
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Si1 .0976 .2221 .2996 .006324 .005217 .004486 .005144 -.001313 -.001331 |
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Si2 .0995 .2252 .7077 .007604 .006589 .003337 .006294 .001722 .001290 |
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Si3 .1972 .5723 .9985 .004183 .003723 .006391 .003268 .000081 .000181 |
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O1 .3661 .9233 .4912 .022414 .029674 .026378 .024586 -.002138 -.002760 |
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O2 .3666 .0586 .5100 .019021 .008094 .030548 .010321 -.000672 -.000928 |
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O3 .0493 .1747 .5045 .009163 .014371 .006936 .008104 .000732 .000456 |
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O4 .0711 .1285 .8027 .024338 .017391 .025717 .018152 .005997 .010263 |
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O5 .0641 .2558 .8058 .026001 .030613 .023728 .026926 .005154 -.000525 |
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O6 .2265 .3544 .6779 .006413 .009724 .007651 .004717 -.001085 -.001768 |
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O7 .0620 .1203 .2020 .030852 .020046 .020921 .022640 -.003884 -.007471 |
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O8 .0690 .2625 .2062 .031777 .025311 .022799 .026254 -.003976 .000952 |
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O9 .2239 .3455 .3262 .009995 .014074 .009649 .008193 -.006103 -.004056 |
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Wat1 .3315 .0362 .0078 .057238 .054624 .066070 .045751 -.004058 .001368 |
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Wat2 .3371 .8816 .9908 .061917 .055961 .054355 .048617 -.007065 -.002559 |
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View JMOL 3-D Structure (permalink) |
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