American Mineralogist Crystal Structure Database

1 matching records for this search.

Dobrovolskyite
 
Shablinskii A P, Filatov S K, Krivivichev S V, Vergasova L P. Moskaleva S V,
Avdontseva E Y, Knyazev A V, Bubnova R S
 
Mineralogical Magazine 85 (2021) 233-241
Dobrovolskyite, Na4Ca(SO4)3, a new fumarolic sulfate from the Great
Tolbachik fissure eruption, Kamchatka Peninsula, Russia
Locality: Great Tolbachik fissure eruption, Kamchatka Peninsula, Russia
_database_code_amcsd 0020962
15.728 15.728 22.004 90 90 120 R3
atom     x       y     z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Na1      0       0 .7382     .029   .030   .030   .028  .0149      0      0
Na2      0       0 .3883     .081   .054   .054   .136   .027      0      0
Na3  .5413   .4507 .5014     .052   .065   .057   .044   .039  -.015   .007
Na4  .8894   .7838 .4735     .094   .162   .046   .068   .046  -.026  -.002
Na5      0       0 .5403     .054   .068   .068   .027   .034      0      0
Na6  .6588   .6905 .5721     .116   .097   .168   .068   .055  -.035   .023
Na7  .6635   .9678 .5719     .105   .102   .088   .128   .049   .045   .001
Na8      0       0 .2326     .110   .103   .103   .125   .052      0      0
Na9  .4385   .8891 .6654     .076   .083   .020   .083  -.006   .014  -.008
Na10   2/3     1/3 .4208     .101   .138   .138   .027   .069      0      0
Na11 .7051   .9959 .7369     .117   .184   .100   .061   .066   .013   .017
Na12   1/3     2/3 .5989     .195   .050   .050    .48   .025      0      0
Ca1  .1203   .8773 .3073     .063   .063   .059   .088   .047   .017   .011
Ca2  .7208   .7243 .7360     .171   .291   .180   .122   .178   .026   .012
S1   .8981   .7929 .6308     .037   .019   .053   .032   .012   .021   .005
S2   .1130   .8834 .4630     .053   .091   .048   .052   .059  -.006  -.012
S3   .5516   .1183 .6503     .075   .050   .048   .105   .008  -.041  -.017
S4   .7772   .5575 .4894     .059   .086   .075   .045   .062   .031   .023
S5   .4360   .5597 .5084     .064   .036   .096   .060   .034   .025   .042
S6   .5677   .7850 .6817     .092   .073   .106   .044   .006  -.001   .010
O1   .9131   .8353 .5724     .100   .085   .106   .079   .026  -.001   .009
O2   .5458   .6191 .5011     .128   .089   .145   .121   .038   .019  -.001
O3   .1508   .8576 .4062     .104   .119   .115   .126   .095  -.034  -.037
O4   .7950   .7436 .6349     .100   .085   .106   .079   .026  -.001   .009
O5   .0672   .9366 .4604     .104   .119   .115   .126   .095  -.034  -.037
O6   .9559   .8542 .6744 .75 .100   .085   .106   .079   .026  -.001   .009
O6'   .906    .847  .684 .25 .114   .108   .055   .141   .003  -.018  -.004
O7   .7653   .4543 .4930     .134   .171   .135   .125   .099  -.019  -.031
O8   .2160   .9487 .4900     .104   .119   .115   .126   .095  -.034  -.037
O9   .4263   .6108 .5672     .128   .089   .145   .121   .038   .019  -.001
O10  .6098   .7437 .6449     .146   .096   .164   .112   .016  -.002   .013
O11  .4022   .4566 .5087     .128   .089   .145   .121   .038   .019  -.001
O12  .9374   .7269 .6315     .100   .085   .106   .079   .026  -.001   .009
O13   .732    .621 .4984  .5 .134   .171   .135   .125   .099  -.019  -.031
O13'  .720    .555 .5397  .5 .134   .171   .135   .125   .099  -.019  -.031
O14   .464   .0516 .6691  .5 .118   .108   .055   .141   .003  -.018  -.004
O15   .506    .101 .7034  .5 .118   .108   .055   .141   .003  -.018  -.004
O16  .5821   .8747 .6603     .146   .096   .164   .112   .016  -.002   .013
O17  .3947   .5872 .4590     .128   .089   .145   .121   .038   .019  -.001
O18  .5901   .7973 .7487     .146   .096   .164   .112   .016  -.002   .013
O19  .6447   .2152 .6503     .118   .108   .055   .141   .003  -.018  -.004
O20  .4579   .7255 .6854     .146   .096   .164   .112   .016  -.002   .013
O21   .140    .856 .5211  .5 .104   .119   .115   .126   .095  -.034  -.037
O22  .7578   .6033 .4399     .134   .171   .135   .125   .099  -.019  -.031
O23  .8859   .6307 .4985     .134   .171   .135   .125   .099  -.019  -.031
O24   .701    .118 .8109  .5 .104   .119   .115   .126   .095  -.034  -.037
O25  .5244   .0997 .5855     .118   .108   .055   .141   .003  -.018  -.004
O26   .591   .0545 .6344  .5 .118   .108   .055   .141   .003  -.018  -.004
O27  .6002   .1153 .7055  .5 .118   .108   .055   .141   .003  -.018  -.004
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Total number of retrieved datasets: 1
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