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 = 200 C
Locality: Hungary
_database_code_amcsd 0018986
6.9806 6.9806 17.425 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 .020   .023      0   .015   .011      0      0
NaA       0       0       0 .071 .020   .023      0   .015   .011      0      0
HA        0       0       0 .117 .020   .023      0   .015   .011      0      0
OA        0       0       0 .039 .020   .023      0   .015   .011      0      0
Al        0      .5      .5 .972 .008   .006   .007   .012   .003      0      0
S         0       0  .30215      .010   .010      0   .005   .009      0      0
O1        0       0  .38517      .017   .021      0   .009   .010      0      0
O2   .21847 -.21847 -.06042      .014   .017   .017   .014   .012   .001   .001
O3   .12604 -.12604  .14035      .012   .009   .009   .017   .004   .002   .002
H     .1835  -.1835   .1108      .037