Petarasite Ghose S, Wan C, Chao G Y 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