Orschallite
Weidenthaler C, Tillmanns E, Hentschel G
Mineralogy and Petrology 48 (1993) 167-177
Orschallite, Ca3(SO3)2SO4*12H2O, a new
calcium-sulfite-sulfate-hydrate mineral
Locality: Hannebacher Ley, Hannebach, Eifel, Germany
_database_code_amcsd 0014633
11.350 11.350 28.321 90 90 120 R-3c
atom      x      y      z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca   .79664      0    .25     1.52  .0178  .0221  .0193  .0111 -.0003 -.0006
S1        0      0 .17258     1.48  .0202  .0202  .0157  .0101      0      0
S2        0      0      0     1.71  .0179  .0179  .0294  .0090      0      0
O1   .66707 .21142 .13729     1.87  .0277  .0190  .0274  .0139 -.0002  .0005
Wat2 .66070 .99654 .18561     3.40  .0418  .0278  .0546  .0109 -.0252  .0047
Wat3 .05881 .48933 .57787     2.90  .0302  .0402  .0406  .0181 -.0002 -.0007
O4        0      0 .54872  .5 2.11  .0269  .0269  .0264  .0135      0      0
O5   .08455 .13857 .02043  .5 2.53  .0255  .0209  .0404  .0044 -.0077 -.0057