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American Mineralogist Crystal Structure Database

1 matching records for this search.

Cossaite
  
Demartin F, Gramaccioli C M, Campostrini I, Castellano C
  
Mineralogical Magazine 75 (2011) 2847-2855
Cossaite, (Mg0.5,_)Al6(SO4)6(HSO4)F6*36H2O, a new mineral
from La Fossa crater, Vulcano, Aeolian Islands, Italy
Locality: La Fossa crater, Vulcano, Aeolian Islands, Italy
Note: H atom in HSO4 group was not located
_database_code_amcsd 0018525
22.010 22.010 9.238 90 90 120 R-3
atom      x      y      z occ   Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Mg      1/3    2/3    7/6  .5  .0840  .0455  .0455   .161  .0228      0      0
Al   .37501 .87307 .35346     .01662  .0141  .0188  .0161  .0075 -.0001  .0005
S1   .21195 .95870 .16739     .01769  .0189  .0191  .0168  .0108 -.0022 -.0014
S2      1/3    2/3 .69198  .5  .0211  .0195  .0195  .0241  .0098      0      0
O1   .14732 .95419 .22260      .0351  .0236  .0408  .0463  .0202 -.0024 -.0154
O2   .24997 .02178 .07647      .0380  .0471  .0205  .0273  .0026 -.0099  .0042
O3   .19434 .89589 .08023      .0250  .0372  .0232  .0190  .0185  .0017 -.0032
O4   .25714 .96364 .28903      .0287  .0318  .0483  .0164  .0279 -.0056 -.0053
O5      1/3    2/3  .8511  .5  .0560  .0667  .0667  .0344  .0334      0      0
O6   .30686 .71231  .6401  .5  .0349  .0359  .0337  .0431  .0233  .0044  .0063
F    .32848 .79736 .24892      .0319  .0272  .0239  .0378  .0078  .0023 -.0094
Ow1  .45582 .90169 .23929      .0263  .0207  .0250  .0290  .0082  .0092 -.0016
Ow2  .34841 .92446 .23172      .0272  .0369  .0428  .0160  .0304  .0021  .0043
Ow3  .42288 .95598 .46392      .0241  .0280  .0224  .0163  .0085 -.0021 -.0017
Ow4  .40817 .82981 .48384      .0368  .0262  .0502  .0410  .0242  .0059  .0229
Ow5  .29490 .84390 .47033      .0258  .0178  .0326  .0215  .0086  .0052  .0006
Wat6 .34139 .74857  .0290      .0382  .0480  .0469  .0315  .0326 -.0096 -.0120
H1a   .4606  .8681  .1844       .067
H1b   .4992  .9437   .241       .063
H2a   .3579  .9368  .1326       .106
H2b   .3107  .9327   .247       .095
H3a   .4316  .9653  .5639       .060
H3b   .4218  .9988   .454       .073
H4a   .3722  .7927  .5360       .110
H4b   .4516  .8311   .474       .121
H5a   .2577  .7973   .461       .054
H5b   .2925  .8632  .5596       .057


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