Alunite
Zema M, Callegari A M, Tarantino S C, Gasparini E, Ghigna P
Mineralogical Magazine 76 (2012) 613-623
Thermal expansion of alunite up to dehydroxylation
and collapse of the crystal structure
Note: T = 400 C
Locality: Hungary
_database_code_amcsd 0018988
6.9897 6.9897 17.574 90 90 120 R-3m
atom      x       y       z  occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
KA        0       0       0 .876 .028   .032      0   .020   .016      0      0
NaA       0       0       0 .071 .028   .032      0   .020   .016      0      0
Al        0      .5      .5 .964 .012   .008   .010   .017   .004      0      0
S         0       0  .30142      .014   .014      0   .015   .007      0      0
O1        0       0  .38341      .024   .029      0   .014   .015      0      0
O2   .21866 -.21866 -.06115      .021   .024   .024   .020   .017   .001   .001
O3   .12616 -.12616  .14040      .017   .013   .013   .024   .005   .002   .002
H     .1838  -.1838   .1111      .048