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 = 25 C
Locality: Hungary
_database_code_amcsd 0018984
6.9749 6.9749 17.315 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 .013   .014      0   .010   .007      0      0
NaA       0       0       0 .071 .013   .014      0   .010   .007      0      0
HA        0       0       0 .159 .013   .014      0   .010   .007      0      0
OA        0       0       0 .053 .013   .014      0   .010   .007      0      0
Al        0      .5      .5 .988 .006   .004   .005   .009      0      0   .002
S         0       0  .30282      .006   .006      0   .007   .003      0      0
O1        0       0  .38666      .011   .013      0   .007   .007      0      0
O2   .21823 -.21823 -.05997      .009   .011   .011   .010   .008      0      0
O3   .12604 -.12604  .14024      .008   .006   .006   .012   .003   .001   .001
H     .1879  -.1879   .1165      .030