Thermessaite
Demartin F, Gramaccioli C M, Campostrini I, Orlandi P
The Canadian Mineralogist 46 (2008) 693-700
Thermessaite, K2[AlF3|SO4], a new ino-aluminofluoride-sulfate from La Fossa crater, Vulcano, Aeolian Islands, Italy
Locality: La Fossa crater, Vulcano, Aeolian Islands, Italy
Note: z-coordinate of S altered
_database_code_amcsd 0006194
10.810 8.336 6.822 90 90 90 Pbcn
atom      x      y      z  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
K    .69572 .32309 .20090 .0232  .0212  .0237  .0246  .0027 -.0043 -.0082
Al      1/2      0      0 .0102  .0117  .0116  .0074 -.0004  .0002  .0000
F1    .8438  .4474  .4773 .0174  .0128  .0203  .0191 -.0023 -.0015 -.0013
F2      1/2  .0840    1/4 .0155  .0240  .0146  .0077      0  .0010      0
S         0 .18950    .25 .0125  .0165  .0102  .0108      0  .0004      0
O1   -.1002  .0950  .3301 .0245  .0309  .0215  .0211 -.0118  .0012  .0058
O2   -.0528  .2958  .0936 .0146  .0189  .0124  .0125 -.0014 -.0026  .0021