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
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Montmorillonite
Gournis D, Lappas A, Karakassides M A, Tobbens D, Moukarika A
Physics and Chemistry of Minerals 35 (2008) 49-58
A neutron diffraction study of alkali cation migration in montmorillonites
Sample: Li-mont
_database_code_amcsd 0009126
5.175 8.896 12.45 90 99.69 90 C2/m
atom x y z occ
Si1 .148 .163 .309 .975
Al1 .148 .163 .309 .025
Li 0 .5 0 .08
Al2 0 .384 .5 .38
Fe2 0 .384 .5 .05
Mg2 0 .384 .5 .07
O1 .218 0 .261 .50
O2 .406 .226 .262
O3 .201 .215 .437
OH .627 0 .387 .50
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Montmorillonite
Gournis D, Lappas A, Karakassides M A, Tobbens D, Moukarika A
Physics and Chemistry of Minerals 35 (2008) 49-58
A neutron diffraction study of alkali cation migration in montmorillonites
Sample: Cs-mont
_database_code_amcsd 0009127
5.181 8.945 12.34 90 99.62 90 C2/m
atom x y z occ
Si1 .140 .171 .302 .975
Al1 .140 .171 .302 .025
Cs 0 .5 0 .08
Al2 0 .374 .5 .38
Fe2 0 .374 .5 .05
Mg2 0 .374 .5 .07
O1 .217 0 .271 .50
O2 .397 .218 .248
O3 .199 .229 .430
OH .628 0 .392 .50
Download AMC data (View Text File )Download CIF data (View Text File )Download diffraction data (View Text File )View JMOL 3-D Structure (permalink )
Montmorillonite
Gournis D, Lappas A, Karakassides M A, Tobbens D, Moukarika A
Physics and Chemistry of Minerals 35 (2008) 49-58
A neutron diffraction study of alkali cation migration in montmorillonites
Sample: Li-mont-300
_database_code_amcsd 0009128
5.171 8.957 9.74 90 96.1 90 C2/m
atom x y z occ
Si1 .179 .151 .283 .975
Al1 .179 .151 .283 .025
Li 0 0 .5 .08
Al2 0 .376 .5 .38
Fe2 0 .376 .5 .05
Mg2 0 .376 .5 .07
O1 .107 0 .192 .50
O2 .442 .230 .236
O3 .195 .204 .444
OH .713 0 .402 .50
Download AMC data (View Text File )Download CIF data (View Text File )Download diffraction data (View Text File )View JMOL 3-D Structure (permalink )
Montmorillonite
Gournis D, Lappas A, Karakassides M A, Tobbens D, Moukarika A
Physics and Chemistry of Minerals 35 (2008) 49-58
A neutron diffraction study of alkali cation migration in montmorillonites
Sample: Cs-mont-300
_database_code_amcsd 0009129
5.191 8.976 11.32 90 100.56 90 C2/m
atom x y z occ
Si1 .153 .171 .305 .975
Al1 .153 .171 .305 .025
Cs 0 .5 0 .08
Al2 0 .369 .5 .38
Fe2 0 .369 .5 .05
Mg2 0 .369 .5 .07
O1 .278 0 .287 .50
O2 .406 .240 .247
O3 .188 .238 .440
OH .660 0 .415 .50
Download AMC data (View Text File )Download CIF data (View Text File )Download diffraction data (View Text File )View JMOL 3-D Structure (permalink )
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