Alunite
Majzlan J, Speziale S, Duffy T S, Burns P C
Physics and Chemistry of Minerals 33 (2006) 567-573
Single-crystal elastic properties of alunite, KAl3(SO4)2(OH)6
_database_code_amcsd 0009047
6.9741 6.9741 17.190 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)
S        0      0 .30380      .0066  .0067  .0067  .0065  .0033      0      0
Al       0     .5     .5 .989 .0068  .0047  .0059  .0095  .0023  .0001  .0000
O1       0      0  .3882      .0110  .0133  .0133  .0062  .0067      0      0
O2   .2182 -.2182 -.0591      .0099  .0117  .0117  .0099  .0084 -.0004  .0004
O3   .1258 -.1258  .1400      .0086  .0060  .0060  .0135  .0028  .0010 -.0010
K        0      0      0 .805 .0140  .0159  .0159  .0104  .0080      0      0
Na       0      0      0 .132 .0140  .0159  .0159  .0104  .0080      0      0
O4       0      0      0 .063 .0140  .0159  .0159  .0104  .0080      0      0
H     .178  -.178   .118      .0332