Tschernichite
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 ) Download diffraction data (View Text File ) View JMOL 3-D Structure (permalink )
 
Multiple datasets can be concatenated into a single downloadable file by selecting the datasets and then clicking
Multiple datasets can be downloaded as individual files inside a ZIP archive by selecting the datasets and then clicking
Total number of retrieved datasets: