Montmorillonite
Viani A, Gualtieri A, Artioli G
American Mineralogist 87 (2002) 966-975
The nature of disorder in montmorillonite by simulation of X-ray powder patterns
Note: Structural simulation model
_database_code_amcsd 0002868
5.18 8.98 15.00 90 90 90 P1
atom     x     y     z occ Uiso
Al   .8753 .3330 .2214      .02
Al   .8753 .6670 .2214      .02
Al   .3753 .8330 .2214      .02
Al   .3753 .1670 .2214      .02
Si   .5588 .3290 .0430      .02
Si   .5588 .6710 .0430      .02
Si   .6919 .8290 .3999      .02
Si   .6919 .1710 .3999      .02
Si   .0588 .8290 .0430      .02
Si   .0588 .1710 .0430      .02
Si   .1919 .3290 .3999      .02
Si   .1919 .6710 .3999      .02
O    .5134    .5 .0099      .02
O    .8280 .7280     0      .02
O    .8280 .2720     0      .02
O    .4954     0 .1520      .02
O    .5682 .6910 .1487      .02
O    .5722 .3090 .1487      .02
O    .7373     0 .4329      .02
O    .4227 .2280 .4428      .02
O    .4227 .7720 .4428      .02
O    .7553    .5 .2908      .02
O    .6824 .1910 .2941      .02
O    .6784 .8090 .2941      .02
O    .0134     0 .0099      .02
O    .3280 .2280     0      .02
O    .3280 .7720     0      .02
O    .9954    .5 .1520      .02
O    .0682 .1910 .1487      .02
O    .0722 .8090 .1487      .02
O    .2373    .5 .4329      .02
O    .9227 .7280 .4428      .02
O    .9227 .2720 .4428      .02
O    .2553     0 .2908      .02
O    .1824 .6910 .2941      .02
O    .1784 .3090 .2941      .02
Ca   .1893     0 .7215  .5  .02
Ca   .6893    .5 .7215  .5  .02