American Mineralogist Crystal Structure Database

1 matching records for this search.

Barrerite
Download hom/barrerite.pdf
Meneghinello E, Alberti A, Cruciani G, Sacerdoti M, McIntyre G,
Ciambelli P, Rapascciuolo M T
 
European Journal of Mineralogy 12 (2000) 1123-1129
Single crystal neutron diffraction study of the natural zeolite barrerite
in its ND4-exchanged form
_database_code_amcsd 0006847
13.601 18.232 17.810 90 90 90 Fmmm
atom      x     y     z    occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
SiT1  .3856 .3077 .3761  .7915        .027   .036   .040      0  -.002  -.002
AlT1  .3856 .3077 .3761  .2085        .027   .036   .040      0  -.002  -.002
SiT3  .3010 .4107    .5  .7915        .028   .035   .040  -.003      0      0
AlT3  .3010 .4107    .5  .2085        .028   .035   .040  -.003      0      0
SiT4  .3882 .1840    .5  .7915        .024   .037   .036   .006      0      0
AlT4  .3882 .1840    .5  .2085        .024   .037   .036   .006      0      0
SiT5    .25   .25   .25  .7915        .020   .057   .029      0      0      0
AlT5    .25   .25   .25  .2085        .020   .057   .029      0      0      0
O1    .3176 .3042 .3013               .046   .063   .055  -.011  -.015   .017
O3    .3720 .2318 .4256               .041   .063   .058  -.009  -.008   .021
O4    .3563 .3799 .4247               .064   .059   .070  -.009   .024  -.020
O7       .5 .3162 .3489               .032   .058   .061      0      0  -.003
O8    .3153 .1138    .5               .033   .043   .075  -.005      0      0
O9    .3093    .5    .5               .047   .037   .075      0      0      0
O10      .5 .1506    .5               .023   .056   .054      0      0      0
Wat1   .461  .122  .306    .21 .062
Wat2     .5  .130  .307    .25 .036
Wat3   .474     0  .431    .34  .14
Wat4   .405     0  .386    .26  .11
Wat6   .389     0  .319    .19  .07
Wat8     .5    .5  .372               .058   .049    .13      0      0      0
Wat11  .398  .094  .316    .15  .08
NaC1     .5     0  .291 .10625  .03
KC1      .5     0  .291    .03  .03
MgC1     .5     0  .291  .0475  .03
CaC1     .5     0  .291  .1625  .03
BaC1     .5     0  .291  .0025  .03
NH4C2  .291  .058  .292 .00875  .13
ND42     .5  .090  .273    .12  .19
ND43   .337  .028  .234    .11  .12
ND44   .338  .068  .331    .15  .09
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