American Mineralogist Crystal Structure Database

1 matching records for this search.

Scordariite
 
Biagioni C, Bindi L, Mauro D, Halenius, U
 
Minerals 9 (2019) 702
Crystal chemistry of sulfates from the Apuan Alps (Tuscany, Italy).
V. Scordariite, K8(Fe3+0.67[]0.33)[Fe3+3O(SO4)6(H2O)3]2(H2O)11:
A new metavoltine-related mineral
Locality: Monte Arsiccio mine, Apuan Alps, Italy
_database_code_amcsd 0020908
9.7583 9.7583 53.687 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)
K1        0      0     .5       .0431  .0383  .0383   .053  .0192   .000   .000
K2        0      0 .67094       .0343  .0364  .0364  .0300  .0182   .000   .000
K3        0      0 .25116       .0396  .0381  .0381  .0427  .0191   .000   .000
K4    .2552  .0063 .14591 .4167 .0465   .074   .035   .032   .029  -.006 -.0014
Na4       0      0  .1749   .25 .0465   .074   .035   .032   .029  -.006 -.0014
Fe1  .16140 .45181 .07854       .0164  .0128  .0128  .0229  .0060  .0027  .0002
Fe2       0      0      0  .660 .0190  .0179  .0179  .0214  .0089   .000   .000
S1   .02166  .6090 .11696       .0204  .0159  .0282  .0196  .0130  .0023 -.0015
S2   .02118 .60291 .04015       .0189  .0163  .0204  .0212  .0102 -.0033 -.0015
O1    .2342  .3909 .10990       .0336   .026   .037   .038   .016   .011   .021
O2    .0132  .4877 .09922       .0252   .016   .020   .035  .0059  .0044 -.0046
O3    .0473  .5717 .14198       .0448   .047   .066   .026   .032  -.005   .003
O4    .3893  .2635 .11451       .0331   .044   .023   .039   .022   .002   .007
O5    .2636  .3570 .05845       .0270   .021   .017   .042  .0085   .012 -.0004
O6    .0767  .4898 .04637       .0282   .036   .026   .028   .020  -.012 -.0088
O7    .4714  .3235 .04257       .0386   .030   .034   .063   .025   .010   .005
O8    .0768  .6665 .01534       .0495   .070   .066   .030   .047   .013   .012
O9        0      0 .58722       .0154   .014   .014   .018  .0071   .000   .000
Wat1   .274  .0594  .1544    .5 .0465   .074   .035   .032   .029  -.006 -.0014
OW2   .2495  .0313 .07737       .0388   .049   .028   .050   .027  -.017  -.014
OW3   .1826  .0096 .02341       .0290   .020   .023   .041   .008   .000   .013
Wat4      0      0  .1172        .142   .074   .074    .28   .037   .000   .000
H21    .261   .074  .0614         .06
H22    .246   .077  .0920         .05
H31    .160   .037  .0387         .10
H32    .171  -.086   .028         .08
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