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Montmorillonite |
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Viani A, Gualtieri A, Artioli G |
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American Mineralogist 87 (2002) 966-975 |
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The nature of disorder in montmorillonite by simulation of X-ray powder patterns |
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Note: Structural simulation model |
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5.18 8.98 15.00 90 90 90 P1 |
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atom x y z occ Uiso |
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Al .8753 .3330 .2214 .02 |
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Al .8753 .6670 .2214 .02 |
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Al .3753 .8330 .2214 .02 |
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Al .3753 .1670 .2214 .02 |
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Si .5588 .3290 .0430 .02 |
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Si .5588 .6710 .0430 .02 |
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Si .6919 .8290 .3999 .02 |
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Si .6919 .1710 .3999 .02 |
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Si .0588 .8290 .0430 .02 |
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Si .0588 .1710 .0430 .02 |
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Si .1919 .3290 .3999 .02 |
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Si .1919 .6710 .3999 .02 |
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O .5134 .5 .0099 .02 |
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O .8280 .7280 0 .02 |
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O .8280 .2720 0 .02 |
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O .4954 0 .1520 .02 |
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O .5682 .6910 .1487 .02 |
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O .5722 .3090 .1487 .02 |
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O .7373 0 .4329 .02 |
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O .4227 .2280 .4428 .02 |
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O .4227 .7720 .4428 .02 |
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O .7553 .5 .2908 .02 |
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O .6824 .1910 .2941 .02 |
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O .6784 .8090 .2941 .02 |
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O .0134 0 .0099 .02 |
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O .3280 .2280 0 .02 |
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O .3280 .7720 0 .02 |
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O .9954 .5 .1520 .02 |
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O .0682 .1910 .1487 .02 |
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O .0722 .8090 .1487 .02 |
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O .2373 .5 .4329 .02 |
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O .9227 .7280 .4428 .02 |
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O .9227 .2720 .4428 .02 |
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O .2553 0 .2908 .02 |
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O .1824 .6910 .2941 .02 |
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O .1784 .3090 .2941 .02 |
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Ca .1893 0 .7215 .5 .02 |
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Ca .6893 .5 .7215 .5 .02 |
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Montmorillonite |
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Gournis D, Lappas A, Karakassides M A, Tobbens D, Moukarika A |
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Physics and Chemistry of Minerals 35 (2008) 49-58 |
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A neutron diffraction study of alkali cation migration in montmorillonites |
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Sample: Li-mont |
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5.175 8.896 12.45 90 99.69 90 C2/m |
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atom x y z occ |
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Si1 .148 .163 .309 .975 |
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Al1 .148 .163 .309 .025 |
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Li 0 .5 0 .08 |
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Al2 0 .384 .5 .38 |
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Fe2 0 .384 .5 .05 |
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Mg2 0 .384 .5 .07 |
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O1 .218 0 .261 .50 |
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O2 .406 .226 .262 |
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O3 .201 .215 .437 |
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OH .627 0 .387 .50 |
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| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
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Montmorillonite |
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Gournis D, Lappas A, Karakassides M A, Tobbens D, Moukarika A |
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Physics and Chemistry of Minerals 35 (2008) 49-58 |
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A neutron diffraction study of alkali cation migration in montmorillonites |
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Sample: Cs-mont |
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5.181 8.945 12.34 90 99.62 90 C2/m |
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atom x y z occ |
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Si1 .140 .171 .302 .975 |
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Al1 .140 .171 .302 .025 |
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Cs 0 .5 0 .08 |
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Al2 0 .374 .5 .38 |
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Fe2 0 .374 .5 .05 |
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Mg2 0 .374 .5 .07 |
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O1 .217 0 .271 .50 |
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O2 .397 .218 .248 |
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O3 .199 .229 .430 |
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OH .628 0 .392 .50 |
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| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
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Montmorillonite |
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Gournis D, Lappas A, Karakassides M A, Tobbens D, Moukarika A |
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Physics and Chemistry of Minerals 35 (2008) 49-58 |
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A neutron diffraction study of alkali cation migration in montmorillonites |
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Sample: Li-mont-300 |
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5.171 8.957 9.74 90 96.1 90 C2/m |
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atom x y z occ |
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Si1 .179 .151 .283 .975 |
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Al1 .179 .151 .283 .025 |
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Li 0 0 .5 .08 |
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Al2 0 .376 .5 .38 |
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Fe2 0 .376 .5 .05 |
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Mg2 0 .376 .5 .07 |
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O1 .107 0 .192 .50 |
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O2 .442 .230 .236 |
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O3 .195 .204 .444 |
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OH .713 0 .402 .50 |
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| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
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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 |
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A neutron diffraction study of alkali cation migration in montmorillonites |
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Sample: Cs-mont-300 |
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5.191 8.976 11.32 90 100.56 90 C2/m |
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atom x y z occ |
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Si1 .153 .171 .305 .975 |
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Al1 .153 .171 .305 .025 |
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Cs 0 .5 0 .08 |
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Al2 0 .369 .5 .38 |
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Fe2 0 .369 .5 .05 |
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Mg2 0 .369 .5 .07 |
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O1 .278 0 .287 .50 |
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O2 .406 .240 .247 |
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O3 .188 .238 .440 |
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OH .660 0 .415 .50 |
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| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
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