Bazhenovite
Bindi L, Bonazzi P, Dei L, Zoppi A
American Mineralogist 90 (2005) 1556-1562
Does the bazhenovite structure really contain a thiosulfate group?
A structural and spectroscopic study of a sample from the type locality
Sample: Chelyabinsk coal basin, South Urals, Russia
_database_code_amcsd 0003932
8.391 17.346 8.221 90 119.33 90 P2_1/c
atom      x     y     z occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca1   .2548 .2476 .3706     .0261   .020   .039   .015  -.010   .005  -.005
Ca2   .7542 .2475 .6201     .0279   .020   .046   .012   .006   .003   .003
O1    .1303 .3186 .0641      .035   .038   .036   .030  -.001   .016   .002
O2    .3739 .3207 .6730      .027   .014   .053   .014  -.004   .008  -.002
O3    .7512 .3153 .8665      .033   .023   .045   .031  -.001   .014   .001
O4    .5105 .3231 .3983      .032   .013   .044   .029  -.012   .003  -.005
O5    .0007 .1745 .1438      .027   .030   .044   .023  -.003   .025  -.004
O6    .5063 .1722 .5943      .027   .038   .038   .008  -.006   .013  -.007
O7   -.0036 .3249 .3393      .036   .020   .043   .041   .001   .012  -.001
Ow1    .350  .496  .816 .60  .070   .058   .060   .080  -.007   .024  -.002
Ow2    .312  .473  .658 .40  .089   .100   .016   .179   .055   .090   .049
S1     .811  .504  .897 .44  .050   .061   .055   .030  -.006   .019  -.001
S2     .761  .502  .786 .44  .049   .095   .028   .034   .005   .040  -.003
S3     .904  .500  .672 .34  .091   .136   .089   .086  -.032   .084  -.028
S4    -.006  .498  .199 .51  .092   .169   .053   .056  -.021   .055  -.012
S5     .580  .499  .653 .23  .078   .090   .106   .016  -.005   .009  -.021
S6     .438  .494  .520 .23  .050   .104   .038   .037   .001   .056   .005
H1a    .004  .312  .004
H1b    .173  .368  .108
H2a    .500  .320  .745
H3b    .770  .367  .853
H4b    .499  .383  .407
H46a   .508  .325  .247
H5b   -.040  .377  .649
H57a  -.002  .325  .491
Hw1    .288  .497  .875 .60
Hw2    .351  .531  .729 .60