Wermlandite
Rius J, Allmann R
Zeitschrift fur Kristallographie 168 (1984) 133-144
The superstructure of the double layer mineral wermlandite
[Mg7(Al0.57,Fe3+0.43)2(OH)18]2+[(Ca0.6,Mg0.4)(SO4)2(H2O)12]2-
Locality: Langban, Warmland, Sweden
_database_code_amcsd 0010871
9.303 9.303 22.570 90 90 120 P-3c1
atom      x     y     z occ Biso  B(1,1)  B(2,2)  B(3,3)  B(1,2)   B(1,3)   B(2,3)
Mg1       0     0   .25          .002581 .002581 .000388 .001290  .000000  .000000
Mg2   .3319     0   .25          .002619 .003158 .000491 .001579  .000069  .000137
Mg3   .6672     0   .25          .003351 .002503 .000422 .001252 -.000062 -.000124
Al      2/3   1/3 .2479 .57      .004545 .004545 .000888 .002272  .000000  .000000
Fe      2/3   1/3 .2479 .43      .004545 .004545 .000888 .002272  .000000  .000000
Ca        0     0     0  .6      .014597 .014597 .002508 .007299  .000000  .000000
Mg        0     0     0  .4      .014597 .014597 .002508 .007299  .000000  .000000
S       1/3   2/3 .0571          .010014 .010014 .001271 .005007  .000000  .000000
Oh1   .1138 .2227 .2046          .008627 .006432 .000520 .005739  .000234  .000027
Oh2   .1182 .5597 .2062          .005893 .006085 .000648 .003158  .000275 -.000014
Oh3   .4504 .2272 .2041          .006432 .006047 .000309 .002465 -.000179 -.000729
Ow4   .4262 .3101 .0815          .019527 .014289 .002189 .006933  .000179 -.000866
Ow51   .184 -.013  .050  .4      .011092 .005045 .004810 .000424 -.002049 -.002090
Ow52   .183 -.008  .066  .6      .015945 .012209 .003391 .008589  .000729 -.001815
O6    .4632 .6373 .0800          .023571 .034394 .002640 .017178 -.000206  .001086
O7      2/3   1/3 .0049          .010245 .010245 .001389 .005123  .000000  .000000
H1     .119  .209  .163      2.0
H2     .144  .564  .165      1.1
H3     .452  .234  .166      1.1
H41    .442  .405  .090       10
H42    .507  .318  .055       10
H51    .251 -.087  .061      8.0
H52    .265  .092  .066       10