American Mineralogist Crystal Structure Database

1 matching records for this search.

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