Thaumasite
Pekov I V, Chukanov N V, Britvin S N, Kabalov Y K, Gottlicher J, Yapaskurt V O,
Zadov A E, Krivovichev S V, Schuller W, Ternes B
Mineralogical Magazine 76 (2012) 1133-1152
The sulfite anion in ettringite-group minerals: a new mineral species
hielscherite, Ca3Si(OH)6(SO4)(SO3)*11H2O, and the thaumasite-hielscherite
solid-solution series
Note: sample Zb-01, single crystal
Locality: Zeilberg basalt quarry, Maroldsweisach, Franconia, Bavaria
_database_code_amcsd 0019543
11.070 11.070 10.4397 90 90 120 P6_3
atom        x      y     z occ Biso
Ca      .8054 .79393 .1340     1.78
Si          0      0 .3880     1.52
O1      .8688  .9949 .9883     1.98
O2      .0072  .8758 .2791     1.58
O3      .6644   .658 .9545     3.95
O4      .7705  .6085  .632     3.32
O5      .8582  .5967  .138     2.84
O6      .6722  .6529 .3148     2.13
S6+1      1/3    2/3 .3764 .85 2.45
OS1A      1/3    2/3 .2312     2.84
OS1B    .4259  .6199 .4216     2.13
C         1/3    2/3   .85  .5  1.6
S4+2      1/3    2/3  .911 .42  .32
O(C,S2)  .370  .8020 .8473     3.71