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Palygorskite |
 |
Post J E, Heaney P J |
 |
American Mineralogist 93 (2008) 667-675 |
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Synchotron powder X-ray diffraction study of the structure and dehydration |
|
behavior of palygorskite |
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Locality: Yulu River, Korea |
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Sample: T = 100 K |
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_database_code_amcsd 0004563 |
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13.179 17.852 5.2316 90 107.77 90 C2/m |
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atom x y z occ Uiso |
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AlM1 0 .0808 .5 .017 |
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MgM2 0 .1678 0 .017 |
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Si1 .2140 .0845 .972 .975 .017 |
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Al1 .2140 .0845 .972 .025 .017 |
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Si2 .2081 .1640 .476 .975 .017 |
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Al2 .2081 .1640 .476 .025 .017 |
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OH .069 0 .371 .01 |
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O2 .089 .0869 .873 .01 |
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O3 .080 .1600 .414 .01 |
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Wat4 .096 .2515 .916 .01 |
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O5 .25 .25 .5 .01 |
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O6 .252 0 .973 .01 |
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O7 .261 .1321 .253 .01 |
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O8 .271 .1276 .768 .01 |
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Wat1 .446 0 .684 .92 .16 |
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Wat2 .5 .1522 .5 .05 |
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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 (permalink) |
| |
|
Palygorskite |
|
Post J E, Heaney P J |
|
American Mineralogist 93 (2008) 667-675 |
|
Synchotron powder X-ray diffraction study of the structure and dehydration |
|
behavior of palygorskite |
|
Locality: Yulu River, Korea |
|
Sample: T = 300 K |
|
_database_code_amcsd 0004564 |
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13.2858 17.8476 5.2419 90 107.560 90 C2/m |
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atom x y z occ Uiso |
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AlM1 0 .0804 .5 .005 |
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MgM2 0 .1681 0 .005 |
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MgM3 0 0 0 .14 .005 |
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Si1 .2140 .0845 .972 .975 .01 |
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Al1 .2140 .0845 .972 .025 .01 |
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Si2 .2081 .1640 .476 .975 .01 |
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Al2 .2081 .1640 .476 .025 .01 |
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O1 .0667 0 .413 .01 |
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O2 .0838 .0883 .853 .01 |
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O3 .0800 .1586 .388 .01 |
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Wat4 .1027 .2528 .916 .01 |
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O5 .25 .25 .5 .01 |
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O6 .252 0 .004 .01 |
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O7 .2570 .1264 .260 .01 |
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O8 .2661 .1232 .761 .01 |
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Wat1 .450 0 .697 .12 |
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Wat2 .472 .1487 .551 .5 .05 |
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H .13 0 .42 .015 |
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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 (permalink) |
| |
|
Palygorskite |
|
Post J E, Heaney P J |
|
American Mineralogist 93 (2008) 667-675 |
|
Synchotron powder X-ray diffraction study of the structure and dehydration |
|
behavior of palygorskite |
|
Locality: Lemesurier Island, Alaska |
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Sample: T = 1160 K |
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_database_code_amcsd 0004565 |
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10.755 15.353 5.281 90 96.17 90 P2_1/a |
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atom x y z occ Uiso |
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AlMg1 .938 .101 .486 .015 |
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Mg2 .882 .172 .916 .015 |
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Si1 .154 .168 .850 .015 |
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Si2 .093 .262 .321 .015 |
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O1 .084 .036 .439 .1 .015 |
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O2 .017 .128 .800 .015 |
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O2b .856 .064 .150 .015 |
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O3 .976 .196 .276 .015 |
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O3b .778 .107 .604 .015 |
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O5 .076 .360 .417 .015 |
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O6 .244 .106 .013 .015 |
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O7 .147 .252 .044 .015 |
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O7b .639 .017 .840 .015 |
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O8 .161 .225 .590 .30 .015 |
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O8b .659 .985 .327 .015 |
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O9 .565 .841 .786 .015 |
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Si1b .247 .506 .089 .015 |
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Si2b .142 .447 .552 .015 |
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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 (permalink) |
| |
|
Palygorskite |
|
Chiari G, Giustetto R, Ricchiardi G |
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European Journal of Mineralogy 15 (2003) 21-33 |
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Crystal structure refinements of palygorskite and Maya Blue from molecular |
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modeling and powder synchrotron diffraction |
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Sample: MP |
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_database_code_amcsd 0006953 |
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13.304 17.876 5.251 90 107.01 90 C2/m |
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atom x y z |
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Si1 .185 .0817 .069 |
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Si2 .209 .1673 .587 |
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Mg2 0 .086 .5 |
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Mg3 0 .207 0 |
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OH .092 0 .52 |
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O1 .069 .099 .117 |
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O2 .092 .174 .640 |
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Wat1 .078 .312 -.04 |
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O3 .225 0 .006 |
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O4 .25 .25 .5 |
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O5 .238 .106 .383 |
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O6 .247 .126 .882 |
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WatZ1 0 .349 .5 |
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WatZ2 0 .421 0 |
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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 (permalink) |
| |
|
Palygorskite |
|
Chiari G, Giustetto R, Ricchiardi G |
| |
European Journal of Mineralogy 15 (2003) 21-33 |
|
Crystal structure refinements of palygorskite and Maya Blue from molecular |
|
modeling and powder synchrotron diffraction |
|
Sample: OP |
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_database_code_amcsd 0006954 |
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12.762 17.882 5.249 90 90 90 Pbmn |
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atom x y z |
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Si1 .240 .0848 .809 |
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Si2 .2059 .1667 .326 |
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Mg2 0 .084 .5 |
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Mg3 0 .148 0 |
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OH .076 0 .288 |
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O1 .113 .091 .780 |
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O2 .079 .164 .321 |
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Wat1 .086 .238 .856 |
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O3 .275 0 .852 |
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O4 .25 .25 .378 |
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O5 .268 .118 .533 |
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O6 .219 .140 .041 |
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WatZ1 0 .406 .5 |
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WatZ2 0 .4278 0 |
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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 (permalink) |
| |
|
Palygorskite |
|
Guistetto R, Chiari G |
| |
European Journal of Mineralogy 16 (2004) 521-532 |
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Crystal structure refinement of palygorskite from neutron powder diffraction |
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Locality: Lorenzo Pech mine, near Ticul, on the way to Chapab, Chiapas, Mexico |
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Note: Occupancies created to match reported formula |
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_database_code_amcsd 0007074 |
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13.337 17.879 5.264 90 105.27 90 C2/m |
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atom x y z occ Uiso |
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MgM2 0 .101 .5 .54 .21 |
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AlM2 0 .101 .5 .39 .21 |
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FeM2 0 .101 .5 .06 .21 |
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KM2 0 .101 .5 .01 .21 |
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MgM3 0 .201 0 .54 .21 |
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AlM3 0 .201 0 .39 .21 |
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FeM3 0 .201 0 .06 .21 |
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KM3 0 .201 0 .01 .21 |
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SiT1 .196 .0889 .155 .99 .38 |
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AlT1 .196 .0889 .155 .01 .38 |
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SiT2 .210 .1772 .643 .99 .38 |
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AlT2 .210 .1772 .643 .01 .38 |
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OH .083 0 .59 .088 |
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O1 .084 .113 .198 .088 |
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O2 .094 .189 .691 .088 |
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Wat1 .089 .299 .055 .088 |
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O3 .222 0 .123 .088 |
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O4 .25 .25 .5 .088 |
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O5 .237 .107 .471 .088 |
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O6 .239 .137 .935 .088 |
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OZW1 0 .291 .5 .5 .026 |
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DZW1' .98 .330 .363 .13 .026 |
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DZW1" .051 .318 .47 .37 .026 |
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OZW2 .963 .417 .223 .5 .026 |
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DZW2' .082 .458 .82 .13 .026 |
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DZW2' .028 .439 .19 .13 .026 |
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DZW2" .055 .369 .69 .37 .026 |
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DZW2" .947 .453 .321 .37 .026 |
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OZW3 .134 .5 .150 .026 |
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DZW3' .181 .455 .17 .26 .026 |
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DZW3" .180 .5 .081 .74 .026 |
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DZW3" .091 .458 .078 .37 .026 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Palygorskite |
|
Guistetto R, Chiari G |
| |
European Journal of Mineralogy 16 (2004) 521-532 |
|
Crystal structure refinement of palygorskite from neutron powder diffraction |
|
Locality: Lorenzo Pech mine, near Ticul, on the way to Chapab, Chiapas, Mexico |
|
Note: Occupancies created to match reported formula |
|
_database_code_amcsd 0007075 |
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12.672 17.875 5.236 90 90 90 Pbmn |
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atom x y z occ Uiso |
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MgM2 0 .0868 .5 .54 .61 |
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AlM2 0 .0868 .5 .39 .61 |
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FeM2 0 .0868 .5 .06 .61 |
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KM2 0 .0868 .5 .01 .61 |
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MgM3 0 .177 0 .54 .61 |
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AlM3 0 .177 0 .39 .61 |
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FeM3 0 .177 0 .06 .61 |
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KM3 0 .177 0 .01 .61 |
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SiT1 .236 .0861 .780 .99 .057 |
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AlT1 .236 .0861 .780 .01 .057 |
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SiT2 .210 .1663 .312 .99 .057 |
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AlT2 .210 .1663 .312 .01 .057 |
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OH .060 0 .277 .042 |
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O1 .109 .104 .785 .042 |
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O2 .082 .1715 .341 .042 |
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Wat1 .079 .272 .878 .042 |
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O3 .275 0 .827 .042 |
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O4 .25 .25 .229 .042 |
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O5 .284 .1372 .548 .042 |
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O6 .214 .1056 .079 .042 |
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OZW2 .064 .365 .216 .5 .008 |
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DZW2' .081 .411 .26 .33 .008 |
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DZW2' .915 .378 .98 .33 .008 |
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DZW2" .140 .352 .26 .17 .008 |
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DZW2" .959 .319 .85 .17 .008 |
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OZW3 .148 .5 .333 .008 |
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DZW3' .198 .4600 .258 .66 .008 |
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DZW3" .185 .5 .492 .35 .008 |
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DZW3" .208 .5 .21 .35 .008 |
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OZW4 0 .487 0 .5 .008 |
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DZW4' .043 .489 .122 .25 .008 |
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DZW4' .013 .444 .07 .25 .008 |
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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 (permalink) |
| |
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