Ettringite
Moore A, Taylor H F W
Nature 218 (1968) 1048-1049
Crystal structure of ettringite
Locality: Scawt Hill, Northern Ireland
_database_code_amcsd 0014674
11.23 11.23 10.72 90 90 120 P6_3/mcm
atom     x     y     z  occ  Uiso
Ca   .1913     0   .25      .0214
Al       0     0     0      .0122
S      1/3   2/3     0  .75 .0215
O1     1/3   2/3 .1436 .375 .0420
O2   .4035 .8070 .0527 .375 .0685
OH   .1353     0 .6088      .0268
Wat1   1/3   2/3     0  .25 .0215
Wat2 .3420     0 .0877      .0317
Wat3 .2557 .4095   .25      .0528