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Tschernichite |
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Alberti A, Cruciani G, Galli E, Merlino S, Millini R, Quartieri S, Vezzalini G, Zanardi S |
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Journal of Physical Chemistry B106 (2002) 10277-10284 |
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Crystal structure of tetragonal and monoclinic polytypes of tschernichite, |
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the natural counterpart of synthetic zeolite beta |
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Locality: Mt. Adamson, Northern Victoria Land, Antarctica |
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Sample: large crystal, monoclinic |
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_database_code_amcsd 0013153 |
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17.983 17.966 14.625 90 114.31 90 C2/c |
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atom x y z occ Uiso |
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Na1 .1438 .3576 .0005 .09 .039 |
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K1 .1438 .3576 .0005 .023 .039 |
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Mg1 .1438 .3576 .0005 .023 .039 |
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Ca1 .1438 .3576 .0005 .44 .039 |
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Ca2 .305 .521 -.004 .073 .03 |
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Ca3 .474 .696 .004 .079 .03 |
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Si1 .1708 .8334 .8880 .68 .014 |
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Al1 .1708 .8334 .8880 .32 .014 |
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Si2 .2070 .5437 .1145 .79 .017 |
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Al2 .2070 .5437 .1145 .21 .017 |
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Si3 .1924 .4185 .2512 .73 .016 |
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Al3 .1924 .4185 .2512 .27 .016 |
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Si4 .3940 .0186 .6136 .68 .018 |
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Al4 .3940 .0186 .6136 .32 .018 |
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Si5 .5201 .1450 .6140 .73 .018 |
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Al5 .5201 .1450 .6140 .27 .018 |
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Si6 .5 .2743 .75 .78 .014 |
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Al6 .5 .2743 .75 .22 .014 |
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Si7 .2971 .2926 .3892 .75 .014 |
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Al7 .2971 .2926 .3892 .25 .014 |
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Si8 .4193 .1693 .3862 .74 .016 |
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Al8 .4193 .1693 .3862 .26 .016 |
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Si9 .5 .1116 .25 .69 .016 |
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Al9 .5 .1116 .25 .31 .016 |
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O1 .2077 .9163 .8753 .032 |
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O2 .5784 .3306 .8014 .034 |
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O3 .2246 .7652 .8738 .033 |
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O4 .6681 .3329 .9996 .027 |
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O5 .2337 .4827 .2040 .032 |
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O6 .1451 .6024 .1324 .039 |
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O7 .1650 .5016 .0076 .026 |
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O8 .1672 .4554 .3359 .039 |
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O9 .2655 .3563 .3029 .041 |
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O10 .1153 .3825 .1592 .037 |
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O11 .4629 .0805 .6252 .047 |
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O12 .0637 .5621 .3419 .045 |
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O13 .5106 .2245 .6639 .041 |
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O14 .4987 .1623 .4944 .018 |
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O15 .3748 .2513 .3779 .032 |
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O16 .4506 .1689 .2959 .030 |
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Wat1 .156 .224 -.114 .58 .12 |
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Wat2 .118 .254 -.111 .45 .09 |
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Wat3 .286 .347 .117 .41 .07 |
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Wat4 .242 .378 -.108 .62 .11 |
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Wat5 .396 .427 .126 .17 .18 |
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Wat6 .478 .641 -.165 .26 .09 |
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Wat7 .013 .140 .025 .56 .14 |
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Wat8 .011 .021 -.019 .40 .04 |
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Wat9 .145 .011 .007 .61 .14 |
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Wat10 .091 .011 .194 .58 .14 |
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| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
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Tschernichite |
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Alberti A, Cruciani G, Galli E, Merlino S, Millini R, Quartieri S, Vezzalini G, Zanardi S |
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Journal of Physical Chemistry B106 (2002) 10277-10284 |
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Crystal structure of tetragonal and monoclinic polytypes of tschernichite, |
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the natural counterpart of synthetic zeolite beta |
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Locality: Mt. Adamson, Northern Victoria Land, Antarctica |
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Sample: small crystal, tetragonal |
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Note: Mg position adjusted to match reported bond lengths |
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_database_code_amcsd 0013154 |
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12.634 12.634 26.608 90 90 90 P4_122 |
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atom x y z occ Uiso |
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Na -.291 -.300 .123 .04 .04 |
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Mg -.291 -.300 .123 .04 .04 |
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K1 0 -.123 0 .04 .11 |
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Ca1 0 -.123 0 .32 .11 |
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K2 0 .449 0 .03 .05 |
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Ca2 0 .449 0 .25 .05 |
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K3 -.5 -.318 0 .04 .10 |
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Ca3 -.5 -.318 0 .32 .10 |
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Si1 .4579 .2945 .0562 .70 .020 |
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Al1 .4579 .2945 .0562 .30 .020 |
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Si2 .4573 .0422 .0541 .90 .018 |
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Al2 .4573 .0422 .0541 .10 .018 |
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Si3 .2111 .2935 .0565 .85 .016 |
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Al3 .2111 .2935 .0565 .15 .016 |
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Si4 .2113 .0419 .0575 .83 .017 |
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Al4 .2113 .0419 .0575 .17 .017 |
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Si5 .8360 .2938 .0566 .99 .019 |
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Al5 .8360 .2938 .0566 .01 .019 |
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Si6 .8355 .0411 .0577 .76 .018 |
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Al6 .8355 .0411 .0577 .24 .018 |
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Si7 .0271 .3583 .1251 .78 .021 |
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Al7 .0271 .3583 .1251 .22 .021 |
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Si8 .0262 -.0262 .125 .71 .016 |
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Al8 .0262 -.0262 .125 .29 .016 |
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Si9 .6403 .3597 .125 .93 .019 |
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Al9 .6403 .3597 .125 .07 .019 |
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O1 .5 .3395 0 .023 |
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O2 .4691 .1639 .0608 .035 |
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O3 .3363 .3310 .0631 .039 |
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O4 .5267 .3542 .0994 .037 |
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O5 .5 .080 0 .030 |
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O6 .3340 .0018 .0626 .037 |
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O7 .5227 -.0180 .0993 .033 |
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O8 .2017 .1679 .0661 .047 |
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O9 .1643 .3224 .0018 .028 |
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O10 .1468 .3539 .1004 .036 |
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O11 .1641 .0056 .0024 .039 |
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O12 .1458 -.0208 .0998 .033 |
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O13 .8348 .1696 .0639 .050 |
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O14 .9374 .3480 .0809 .036 |
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O15 .7298 .3481 .0828 .057 |
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O16 .7296 -.0163 .0822 .035 |
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O17 .9412 -.0094 .0789 .050 |
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Wat1 -.186 -.229 .057 .55 .09 |
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Wat2 -.167 -.416 .056 .93 .22 |
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Wat3 0 .546 0 .38 .10 |
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Wat4 -.359 -.206 .005 .86 .19 |
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Wat6 -.463 -.323 .090 .67 .18 |
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Wat7 -.361 -.478 .006 .31 .11 |
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Wat10 -.155 -.346 -.002 .30 .06 |
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Wat11 -.334 -.334 -.125 .34 .08 |
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Wat13 0 -.203 0 .38 .05 |
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| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
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