American Mineralogist Crystal Structure Database

2 matching records for this search.

Tschernichite
Download hom/tschernichite.pdf
Alberti A, Cruciani G, Galli E, Merlino S, Millini R, Quartieri S, Vezzalini G, Zanardi S
 
Journal of Physical Chemistry B106 (2002) 10277-10284
Crystal structure of tetragonal and monoclinic polytypes of tschernichite,
the natural counterpart of synthetic zeolite beta
Locality: Mt. Adamson, Northern Victoria Land, Antarctica
Sample: large crystal, monoclinic
_database_code_amcsd 0013153
17.983 17.966 14.625 90 114.31 90 C2/c
atom      x     y     z  occ Uiso
Na1   .1438 .3576 .0005  .09 .039
K1    .1438 .3576 .0005 .023 .039
Mg1   .1438 .3576 .0005 .023 .039
Ca1   .1438 .3576 .0005  .44 .039
Ca2    .305  .521 -.004 .073  .03
Ca3    .474  .696  .004 .079  .03
Si1   .1708 .8334 .8880  .68 .014
Al1   .1708 .8334 .8880  .32 .014
Si2   .2070 .5437 .1145  .79 .017
Al2   .2070 .5437 .1145  .21 .017
Si3   .1924 .4185 .2512  .73 .016
Al3   .1924 .4185 .2512  .27 .016
Si4   .3940 .0186 .6136  .68 .018
Al4   .3940 .0186 .6136  .32 .018
Si5   .5201 .1450 .6140  .73 .018
Al5   .5201 .1450 .6140  .27 .018
Si6      .5 .2743   .75  .78 .014
Al6      .5 .2743   .75  .22 .014
Si7   .2971 .2926 .3892  .75 .014
Al7   .2971 .2926 .3892  .25 .014
Si8   .4193 .1693 .3862  .74 .016
Al8   .4193 .1693 .3862  .26 .016
Si9      .5 .1116   .25  .69 .016
Al9      .5 .1116   .25  .31 .016
O1    .2077 .9163 .8753      .032
O2    .5784 .3306 .8014      .034
O3    .2246 .7652 .8738      .033
O4    .6681 .3329 .9996      .027
O5    .2337 .4827 .2040      .032
O6    .1451 .6024 .1324      .039
O7    .1650 .5016 .0076      .026
O8    .1672 .4554 .3359      .039
O9    .2655 .3563 .3029      .041
O10   .1153 .3825 .1592      .037
O11   .4629 .0805 .6252      .047
O12   .0637 .5621 .3419      .045
O13   .5106 .2245 .6639      .041
O14   .4987 .1623 .4944      .018
O15   .3748 .2513 .3779      .032
O16   .4506 .1689 .2959      .030
Wat1   .156  .224 -.114  .58  .12
Wat2   .118  .254 -.111  .45  .09
Wat3   .286  .347  .117  .41  .07
Wat4   .242  .378 -.108  .62  .11
Wat5   .396  .427  .126  .17  .18
Wat6   .478  .641 -.165  .26  .09
Wat7   .013  .140  .025  .56  .14
Wat8   .011  .021 -.019  .40  .04
Wat9   .145  .011  .007  .61  .14
Wat10  .091  .011  .194  .58  .14
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Tschernichite
Download hom/tschernichite.pdf
Alberti A, Cruciani G, Galli E, Merlino S, Millini R, Quartieri S, Vezzalini G, Zanardi S
 
Journal of Physical Chemistry B106 (2002) 10277-10284
Crystal structure of tetragonal and monoclinic polytypes of tschernichite,
the natural counterpart of synthetic zeolite beta
Locality: Mt. Adamson, Northern Victoria Land, Antarctica
Sample: small crystal, tetragonal
Note: Mg position adjusted to match reported bond lengths
_database_code_amcsd 0013154
12.634 12.634 26.608 90 90 90 P4_122
atom      x      y     z occ Uiso
Na    -.291  -.300  .123 .04  .04
Mg    -.291  -.300  .123 .04  .04
K1        0  -.123     0 .04  .11
Ca1       0  -.123     0 .32  .11
K2        0   .449     0 .03  .05
Ca2       0   .449     0 .25  .05
K3      -.5  -.318     0 .04  .10
Ca3     -.5  -.318     0 .32  .10
Si1   .4579  .2945 .0562 .70 .020
Al1   .4579  .2945 .0562 .30 .020
Si2   .4573  .0422 .0541 .90 .018
Al2   .4573  .0422 .0541 .10 .018
Si3   .2111  .2935 .0565 .85 .016
Al3   .2111  .2935 .0565 .15 .016
Si4   .2113  .0419 .0575 .83 .017
Al4   .2113  .0419 .0575 .17 .017
Si5   .8360  .2938 .0566 .99 .019
Al5   .8360  .2938 .0566 .01 .019
Si6   .8355  .0411 .0577 .76 .018
Al6   .8355  .0411 .0577 .24 .018
Si7   .0271  .3583 .1251 .78 .021
Al7   .0271  .3583 .1251 .22 .021
Si8   .0262 -.0262  .125 .71 .016
Al8   .0262 -.0262  .125 .29 .016
Si9   .6403  .3597  .125 .93 .019
Al9   .6403  .3597  .125 .07 .019
O1       .5  .3395     0     .023
O2    .4691  .1639 .0608     .035
O3    .3363  .3310 .0631     .039
O4    .5267  .3542 .0994     .037
O5       .5   .080     0     .030
O6    .3340  .0018 .0626     .037
O7    .5227 -.0180 .0993     .033
O8    .2017  .1679 .0661     .047
O9    .1643  .3224 .0018     .028
O10   .1468  .3539 .1004     .036
O11   .1641  .0056 .0024     .039
O12   .1458 -.0208 .0998     .033
O13   .8348  .1696 .0639     .050
O14   .9374  .3480 .0809     .036
O15   .7298  .3481 .0828     .057
O16   .7296 -.0163 .0822     .035
O17   .9412 -.0094 .0789     .050
Wat1  -.186  -.229  .057 .55  .09
Wat2  -.167  -.416  .056 .93  .22
Wat3      0   .546     0 .38  .10
Wat4  -.359  -.206  .005 .86  .19
Wat6  -.463  -.323  .090 .67  .18
Wat7  -.361  -.478  .006 .31  .11
Wat10 -.155  -.346 -.002 .30  .06
Wat11 -.334  -.334 -.125 .34  .08
Wat13     0  -.203     0 .38  .05
Download AMC data (View Text File)
Download CIF data (View Text File)
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View JMOL 3-D Structure (permalink)
 
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Total number of retrieved datasets: 2
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