Chlorothionite
Giacovazzo C, Scandale E, Scordari F
Zeitschrift fur Kristallographie 144 (1976) 226-237
The crystal structure of chlorotionite, CuK2Cl2SO4
Locality: 1906 eruption of Vesuvius, Italy
_database_code_amcsd 0010784
7.732 6.078 16.292 90 90 90 Pnma
atom     x     y     z Biso B(1,1) B(2,2) B(3,3)  B(1,2) B(1,3) B(2,3)
Cu   .6212   .75 .4615 1.55  .0039  .0175  .0011       0      0      0
K1   .3821   .25 .2808 2.26  .0052  .0111  .0036       0  .0004      0
K2   .1193   .75 .4050 1.51  .0057  .0110  .0015       0 -.0001      0
Cl1  .6026   .25 .4515 1.70  .0057  .0157  .0013       0 -.0004      0
Cl2  .8402   .75 .5526 1.56  .0063  .0114  .0014       0 -.0007      0
S    .6296   .75 .3024 1.07  .0036  .0081  .0011       0 -.0002      0
O1   .7758   .75 .3629 1.89  .0028   .023  .0014       0  .0001      0
O2   .6324 .9481 .2518 1.58  .0087  .0060  .0017  -.0001 -.0006 -.0007
O3   .4752   .75 .3587 1.70  .0031   .021  .0012       0  .0005      0