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 = 500 C
Locality: Hungary
_database_code_amcsd 0018990
6.9935 6.9935 17.640 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 .033   .029      0   .042   .014      0      0
NaA       0       0       0 .071 .033   .029      0   .042   .014      0      0
Al        0      .5      .5 .932 .026   .011   .013   .054   .005   .001   .001
S         0       0   .3010      .030   .019      0   .051   .009      0      0
O1        0       0   .3827      .041   .035      0   .053   .018      0      0
O2    .2186  -.2186  -.0619      .035   .032   .032   .048   .021   .001   .001
O3    .1266  -.1266   .1403      .034   .016   .016   .067   .007   .001   .001