Steverustite
Cooper M A, Hawthorne F C, Moffatt E
Mineralogical Magazine 73 (2009) 235-250
Steverustite, Pb5(OH)5[Cu(SO3S)3](H2O)2, a new thiosulphate mineral from the
Frongoch mine dump, Devils Bridge, Ceredigion, Wales: description and crystal structure
Locality: Frongoch mine dump, Devils Bridge, Ceredigion, Wales
_database_code_amcsd 0014592
12.5631 8.8963 18.0132 90 96.459 90 P2_1/n
atom       x      y      z occ   Uiso U(1,1) U(2,2) U(3,3)  U(1,2)  U(1,3)  U(2,3)
Pb1   .65998 .09839 .54396     .02733  .0301  .0261  .0265 -.00422  .00625  .00290
Pb2   .28510 .09642 .21832     .02820  .0325  .0288  .0227 -.00231  .00053 -.00006
Pb3   .85984 .37204 .49493     .03122  .0261  .0307  .0354 -.00299 -.00346 -.00109
Pb4   .57981 .36011 .37496     .02494  .0233  .0250  .0260  .00163  .00082  .00113
Pb5   .78717 .06441 .35321     .03227  .0403  .0320  .0255  .00996  .00810 -.00092
Cu    .30114 .28737 .58767      .0267  .0260  .0331  .0211   .0008   .0029   .0006
S6+1  .29060  .2829 .40072      .0204  .0224  .0202  .0178   .0000  -.0013  -.0005
S6+2  .53847  .2457 .69203      .0233  .0194  .0323  .0182   .0000   .0020  -.0017
S6+3   .0825  .3395 .68340      .0276  .0278  .0307  .0258   .0052   .0098   .0055
S2-4   .4014  .2870 .49234      .0244  .0208  .0320  .0196   .0005  -.0009  -.0002
S2-5   .3837  .2972 .70413      .0299  .0208  .0486  .0206   .0018   .0033  -.0003
S2-6   .1226  .2913 .57811      .0308  .0242  .0445  .0234   .0034   .0017   .0012
O1     .3503  .2731  .3351      .0333   .030   .049   .020   -.003    .001   -.013
O2     .2298  .4238  .3982      .0261   .031   .027   .019    .009    .000   -.001
O3     .2210  .1525  .4077      .0351   .032   .033   .036   -.006   -.013    .012
O4     .5760  .3441  .6357       .045   .032   .055   .055    .007    .027    .020
O5     .5442  .0874  .6699       .044   .032   .038   .062   -.002    .011   -.009
O6     .6033  .2677  .7632       .052   .029   .099   .027    .006   -.006   -.023
O7    -.0241  .4031  .6714       .046   .034   .058   .048    .006    .010   -.010
O8     .0841  .1994  .7250       .057   .104   .038   .033    .000    .030    .004
O9     .1602  .4443  .7198      .0371   .042   .047   .022   -.009    .003    .003
Oh10   .6727  .3453  .4968      .0222   .026   .025   .015    .004    .001   -.001
Oh11   .8243  .1101  .4860      .0282   .032   .029   .025    .012    .007    .003
Oh12   .7683  .3260  .3702      .0238   .026   .029   .018   -.004    .007   -.005
Oh13   .6198  .1052  .3920      .0271   .032   .024   .026   -.003    .008   -.004
Oh14   .7839  .2106  .6392       .047   .029   .053   .057    .014   -.008   -.024
Wat15 -.0013  .2895  .3997       .074   .030   .152   .043    .017    .012    .020
Wat16  .4551  .4840  .1400 .67   .071   .053   .043   .109    .007   -.023   -.022
H1      .665   .435   .527       .038
H2      .883   .040   .500       .038
H3      .800   .383   .332       .038
H4      .570   .034   .365       .038
H5      .844   .148   .660       .038