American Mineralogist Crystal Structure Database

1 matching records for this search.

Petarasite
Download hom/petarasite.pdf
Ghose S, Wan C, Chao G Y
Download cm/vol18/CM18_503.pdf
The Canadian Mineralogist 18 (1980) 503-509
Petarasite, Na5Zr2Si6O18(Cl,OH).2H2O, a zeolite-type zirconosilicate
_database_code_amcsd 0005181
10.7956 14.4928 6.6229 90 113.214 90 P2_1/m
atom      x      y       z occ Biso  B(1,1)  B(2,2)  B(3,3)   B(1,2)  B(1,3)   B(2,3)
Na1  .53703 .11999  .94377          .010387 .003202 .021256  .002069 .007824  .002806
Na2  .96816 .11801  .04734          .010159 .002535 .015116 -.001565 .004223 -.000992
Na3  .75350    .25  .53730  .8      .006044 .000833 .010932  .000000 .009480  .000000
Ca3  .75350    .25  .53730  .2      .006044 .000833 .010932  .000000 .009480  .000000
Zr   .75341 .01483  .50974          .001575 .000179 .002632 -.000035 .001449 -.000085
Si1  .04177 .14185  .59651          .001803 .000214 .003509  .000087 .001283  .000028
Si2  .25281 .05076  .99330          .002006 .000595 .002429  .000070 .000952 -.000057
Si3  .46055 .14000  .39881          .001549 .000262 .004791 -.000122 .001449 -.000142
O1   .05903    .25  .54621          .003860 .000512 .010864  .000000 .004057  .000000
O2   .89046 .12341  .57443          .002667 .000869 .015453 -.000348 .003850 -.000879
O3   .09220 .07970  .44176          .003073 .000678 .004994  .000817 .002111  .000482
O4   .13872 .12679  .85457          .006883 .001785 .004859  .002486 .001863  .000255
O5   .80161 .00514  .84919          .003962 .001524 .004049 -.001008 .002235 -.000397
O6   .70604 .01230  .17083          .004267 .001345 .004454  .000765 .002856  .000000
O7   .38504 .11045  .14028          .005410 .001892 .005398 -.000052 .002360 -.000765
O8   .61709 .12247  .46523          .002083 .000726 .015183  .000452 .003022  .000170
O9   .43210    .25  .41461          .003098 .000690 .015385  .000000 .002815  .000000
O10  .39821 .08351  .54458          .003302 .000833 .007220 -.001008 .002898 -.000453
Wat1 .10237    .25  .16018          .014603 .003107 .026587  .000000 .012751  .000000
Wat2 .39241    .25  .82389          .010133 .001726 .019097  .000000 .008735  .000000
Cl   .75124    .25  .00521 .75      .008940 .002107 .029354  .000000 .006789  .000000
OH1  .86880    .25 -.02220 .25 2.34
OH2  .70151    .25  .11946 .12 1.98
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