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