American Mineralogist Crystal Structure Database

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Wickenburgite
Download hom/wickenburgite.pdf
Lam A E, Groat L A
The Canadian Mineralogist 32 (1994) 525-532
The crystal structure of wickenburgite, Pb3CaAl[AlSi10O27](H2O)3, a sheet
structure
Sample: UBC refinement
_database_code_amcsd 0005381
8.560 8.560 20.190 90 90 120 P31c
atom      x     y     z occ Uiso
Pb    .2919 .2586     0     .012
Ca        0     0 .1465     .022
Al1     2/3   1/3 .4852 .97 .010
Fe1     2/3   1/3 .4852 .03 .010
Al2     1/3   2/3 .3678     .004
Si1     2/3   1/3 .1339     .013
Si2       0     0 .3731     .016
Si3     2/3   1/3 .2889     .013
Si4     1/3   2/3 .2022     .016
Si5   .3871 .0591 .3782     .018
Si6   .0618 .4121 .0982     .019
O1      1/3   2/3  .280     .018
O2      2/3   1/3  .214     .034
O3        0     0  .456     .041
O4     .145  .501  .172     .026
O5     .489  .156  .107     .024
O6     .512  .137  .316     .023
O7     .134  .571  .043     .020
O8     .197  .035  .346     .036
O9     .087  .241  .075     .024
Wat10  .229  .197  .221     .045
O11    .453  .214  .435     .015
O12    .505  .644  .400     .011
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