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 = 450 C
Locality: Hungary
_database_code_amcsd 0018989
6.9916 6.9916 17.621 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 .031   .035      0   .023   .017      0      0
NaA       0       0       0 .071 .031   .035      0   .023   .017      0      0
Al        0      .5      .5 .972 .013   .009   .011   .019   .005      0      0
S         0       0  .30118      .015   .016      0   .016   .007      0      0
O1        0       0  .38311      .026   .030      0   .017   .015      0      0
O2   .21872 -.21872 -.06135      .022   .025   .025   .023   .018   .001   .001
O3   .12624 -.12624  .14042      .018   .013   .013   .026   .005   .002   .002
H     .1837  -.1837   .1104      .061