American Mineralogist Crystal Structure Database

1 matching records for this search.

Boggsite
Download hom/boggsite.pdf
Pluth J J, Smith J V
American Mineralogist 75 (1990) 501-507
Crystal structure of boggsite, a new high-silica zeolite with the first
three-dimensional channel system bounded by both 12- and 10-rings
_database_code_amcsd 0001303
20.236 23.798 12.798 90 90 90 Imma
atom      x      y     z  occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Si1  .18881 .18550 .6719  .81  .0189  .0140  .0196 -.0007  .0007 -.0024
Al1  .18881 .18550 .6719  .19  .0189  .0140  .0196 -.0007  .0007 -.0024
Si2  .19006 .02407 .3297  .81  .0214  .0226  .0145  .0001 -.0028 -.0002
Al2  .19006 .02407 .3297  .19  .0214  .0226  .0145  .0001 -.0028 -.0002
Si3  .07689 .18517 .8357  .81  .0164  .0123  .0204  .0003  .0006  .0021
Al3  .07689 .18517 .8357  .19  .0164  .0123  .0204  .0003  .0006  .0021
Si4  .07768 .02210 .1643  .81  .0154  .0226  .0155  .0001  .0007  .0012
Al4  .07768 .02210 .1643  .19  .0154  .0226  .0155  .0001  .0007  .0012
Si5  .22108 .08300 .5378  .81  .0169  .0171  .0176 -.0012  .0007 -.0060
Al5  .22108 .08300 .5378  .19  .0169  .0171  .0176 -.0012  .0007 -.0060
Si6  .12270 .08371 .9656  .81  .0175  .0166  .0176 -.0017 -.0002  .0037
Al6  .12270 .08371 .9656  .19  .0175  .0166  .0176 -.0017 -.0002  .0037
O1    .1882    .25 .6291        .046   .013   .032      0   .002      0
O2    .1194  .1707 .7322        .028   .034   .041  -.004   .009  -.009
O3    .1950  .1456 .5679        .053   .025   .026   .006      0  -.008
O4    .1900  .0702 .4236        .051   .037   .020   .007  -.008  -.011
O5    .1194  .0319 .2722        .024   .059   .026  -.001  -.008  -.004
O6    .0893    .25 .8731        .037   .017   .031      0  -.014      0
O7        0  .1738 .8043        .012   .033   .049      0      0  -.013
O8        0  .0263 .1968        .018   .070   .033      0      0  -.004
O9    .1944  .0379 .6204        .104   .028   .030  -.013   .016   .008
O10   .0978  .1464 .9327        .069   .015   .034   .006  -.006   .008
O11   .0959  .0725 .0813        .067   .037   .027  -.007   .016   .008
O12   .2007  .0800 .9682        .014   .103   .096  -.002   .004   .044
O13   .0949  .0395 .8847        .079   .025   .035  -.011  -.014  -.004
O14     .25  .1755   .75        .039   .033   .050      0  -.022      0
O15     .25 -.0375   .75        .027   .069   .031      0  -.010      0
Wat1      0  .1735  .136 1.85
Wat2  .1936  .1701  .203 1.35
Wat3  .1930    .25  .057 .920
Wat4  .1074  .1754  .372 1.16
Wat5      0  .1750  .570 3.20
Wat6      0  .0284  .429 .910
Wat7  .0562  .1147  .410 .630
Wat8  .0431  .0812  .626 .770
Wat9  .1490    .25  .237 .500
Wat10 .1060    .25  .086 .610
Wat11 .2060    .25  .401 1.32
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