Rhomboclase
Peterson R C, Valyashko E, Wang R
The Canadian Mineralogist 47 (2009) 625-634
The atomic structure of (H3O)Fe3+(SO4)2 and rhomboclase, (H5O2)Fe3+(SO4)2*2H2O
Note: T = 180 K
Locality: Alcoparrosa, Chile
_database_code_amcsd 0006292
9.6870 18.2040 5.4250 90 90 90 Pnma
atom     x     y     z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Fe       0     0     0     .010   .009   .015   .008   .001   .000  -.001
S    .2353 .0886 .2923     .011   .009   .015   .008   .000   .000   .000
O1   .3227 .0232 .3417     .014   .011   .017   .014   .001   .003  -.001
O2   .0930 .0608 .2482     .015   .010   .024   .012  -.005   .002  -.001
O3   .2870 .1281 .0780     .018   .019   .021   .012   .005  -.005  -.002
O4   .2272 .1353 .5114     .015   .013   .019   .012  -.005   .000   .002
Ow1  .4904 .0903 .7262     .015   .013   .021   .012  -.003   .001  -.002
Ow2  .6334   .25 .5449     .033   .022   .018   .060      0   .010      0
Ow3a .3850   .25 .6056 .86 .024   .023   .017   .032      0  -.004      0
Ow3b  .391   .25  .480 .14 .024   .023   .017   .032      0  -.004      0
H1    .428 .0965  .817     .031
H2    .565 .1015  .787     .039
H3    .681 .2131  .510     .045
H4    .337 .2105  .552     .045
H5    .495   .25   .56     .045