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Boggsite |
 |
Zanardi S, Cruciani G, Alberti A, Galli E |
 |
American Mineralogist 89 (2004) 1033-1042 |
|
Dehydration and rehydration process in boggsite: an in-situ X-ray single-crystal study |
|
Note: Wat represents an unknown distribution across the Wat sites of |
|
[Ca.806,Mg.138,Na.041,K.007,Fe.006,Sr.001,Wat8.06] |
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Note: Reported occupancies are discrepant with reported formula. |
|
Sample: BOG-RT, T = 25 C |
|
_database_code_amcsd 0003579 |
|
20.291 23.840 12.807 90 90 90 Imma |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Al1 .18888 .18535 .6719 .24 .0252 .0267 .020 .0284 -.0007 .0024 -.0020 |
|
Si1 .18888 .18535 .6719 .76 .0252 .0267 .020 .0284 -.0007 .0024 -.0020 |
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Al2 .19034 .02428 .3298 .33 .0276 .030 .0295 .0222 .0003 -.0020 -.0014 |
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Si2 .19034 .02428 .3298 .67 .0276 .030 .0295 .0222 .0003 -.0020 -.0014 |
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Al3 .07700 .18526 .8355 .26 .0250 .0264 .019 .0295 .0005 .0002 .0010 |
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Si3 .07700 .18526 .8355 .74 .0250 .0264 .019 .0295 .0005 .0002 .0010 |
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Al4 .07744 .02186 .1645 .26 .0257 .025 .0285 .0232 .0005 .0005 .0005 |
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Si4 .07744 .02186 .1645 .74 .0257 .025 .0285 .0232 .0005 .0005 .0005 |
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Al5 .22159 .08334 .5383 .07 .0257 .026 .024 .0262 -.0005 .0007 -.0032 |
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Si5 .22159 .08334 .5383 .93 .0257 .026 .024 .0262 -.0005 .0007 -.0032 |
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Al6 .12247 .08391 .9660 .05 .0250 .025 .023 .0262 -.0007 -.0000 .0047 |
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Si6 .12247 .08391 .9660 .95 .0250 .025 .023 .0262 -.0007 -.0000 .0047 |
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O1 .1887 .25 .6288 .039 .062 .019 .03577 .000 .00593 .000 |
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O2 .1191 .1713 .7297 .044 .044 .041 .046 -.002 .010 -.004 |
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O3 .1962 .1456 .5686 .044 .057 .032 .041 .006 .000 -.006 |
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O4 .1897 .0703 .4254 .048 .065 .046 .033 .001 -.006 -.009 |
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O5 .1183 .0321 .2727 .048 .038 .067 .038 -.000 -.006 -.006 |
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O6 .0899 .25 .8737 .035 .042 .023 .03829 .000 -.00304 .000 |
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O7 0 .1755 .8034 .043 .027 .044 .055 .000 0 -.010 |
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O8 0 .0258 .1946 .048 .031 .070 .041 .000 0 .003 |
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O9 .1960 .0388 .6221 .059 .099 .037 .039 -.005 .014 .008 |
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O10 .0986 .1457 .9338 .048 .071 .029 .042 .002 -.005 .006 |
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O11 .0950 .0721 .0820 .052 .073 .044 .037 -.004 .016 .009 |
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O12 .2005 .0819 .9702 .078 .025 .099 .110 -.002 .000 .039 |
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O13 .0952 .0385 .8859 .058 .096 .032 .045 -.005 -.016 -.010 |
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O14 .25 .1752 .75 .051 .049 .048 .053 .000 -.019 .000 |
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O15 .25 -.0395 .75 .054 .046 .071 .043 .000 -.005 .000 |
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Wat1 0 .179 .108 .48 .144 |
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Wat2 .190 .162 .207 .42 .101 |
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Wat3 .194 .25 .045 .47 .110 |
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Wat4 .110 .165 .403 .38 .131 |
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Wat5 0 .164 .592 .36 .113 |
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Wat6 0 .030 .410 .42 .137 |
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Wat7 .071 .124 .402 .36 .109 |
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Wat8 .050 .076 .619 .40 .140 |
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Wat9 .153 .25 .235 .32 .057 |
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Wat10 .130 .25 .082 .37 .144 |
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Wat11 .208 .25 .405 .21 .125 |
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Wat12 .197 .25 .233 .37 .091 |
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Wat13 0 .086 .414 .24 .103 |
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| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Boggsite |
|
Zanardi S, Cruciani G, Alberti A, Galli E |
|
American Mineralogist 89 (2004) 1033-1042 |
|
Dehydration and rehydration process in boggsite: an in-situ X-ray single-crystal study |
|
Note: Ca represents an unknown distribution across the Ca sites of |
|
[Ca.806,Mg.138,Na.041,K.007,Fe.006,Sr.001] |
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Note: Reported occupancies are discrepant with reported formula. |
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Sample: BOG-150, T = 150 C |
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_database_code_amcsd 0003580 |
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20.299 23.746 12.814 90 90 90 Imma |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Al1 .18772 .18509 .6730 .22 .0348 .0373 .0278 .0392 -.0004 .0042 -.0032 |
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Si1 .18772 .18509 .6730 .78 .0348 .0373 .0278 .0392 -.0004 .0042 -.0032 |
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Al2 .18924 .02419 .3300 .30 .0370 .0407 .0393 .0309 .0012 -.0049 -.0014 |
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Si2 .18924 .02419 .3300 .70 .0370 .0407 .0393 .0309 .0012 -.0049 -.0014 |
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Al3 .07707 .18423 .8381 .23 .0358 .0334 .0284 .0454 .0007 .0024 .0038 |
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Si3 .07707 .18423 .8381 .77 .0358 .0334 .0284 .0454 .0007 .0024 .0038 |
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Al4 .07787 .02185 .1628 .23 .0339 .0324 .0382 .0311 .0016 -.0009 .0027 |
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Si4 .07787 .02185 .1628 .77 .0339 .0324 .0382 .0311 .0016 -.0009 .0027 |
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Al5 .21928 .08334 .5382 .04 .0338 .0351 .0322 .0341 -.0016 .0002 -.0061 |
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Si5 .21928 .08334 .5382 .96 .0338 .0351 .0322 .0341 -.0016 .0002 -.0061 |
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Al6 .12439 .08374 .9624 .03 .0352 .0349 .0325 .0380 -.0021 -.0022 .0060 |
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Si6 .12439 .08374 .9624 .97 .0352 .0349 .0325 .0380 -.0021 -.0022 .0060 |
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O1 .1827 .25 .6340 .055 .081 .032 .050 0 .003 0 |
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O2 .1190 .1666 .7333 .055 .049 .052 .062 -.004 .015 -.005 |
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O3 .1948 .1453 .5706 .060 .085 .042 .052 .013 .000 -.017 |
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O4 .1922 .0710 .4228 .059 .080 .051 .044 .002 -.015 -.011 |
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O5 .1170 .0315 .2726 .065 .057 .086 .052 .008 -.016 -.011 |
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O6 .0880 .25 .8667 .058 .075 .029 .069 0 .004 0 |
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O7 0 .1696 .8097 .063 .033 .062 .092 0 0 .006 |
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O8 0 .0261 .1915 .071 .030 .090 .091 0 0 -.017 |
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O9 .1869 .0393 .6189 .073 .113 .051 .053 -.013 .015 .003 |
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O10 .1020 .1467 .9367 .062 .095 .035 .054 .009 -.009 .006 |
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O11 .0985 .0678 .0756 .071 .103 .061 .047 -.005 .014 .017 |
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O12 .2029 .0778 .9580 .091 .040 .122 .111 -.002 -.003 .028 |
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O13 .0925 .0427 .8759 .068 .087 .047 .068 -.010 -.004 -.014 |
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O14 .25 .1756 .75 .064 .055 .055 .081 0 -.021 0 |
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O15 .25 -.0320 .75 .073 .055 .110 .053 0 -.015 0 |
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Ca1 .0717 .0787 .6767 .278 .068 .075 .048 .080 -.009 -.018 .005 |
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Ca2 0 .0278 .3690 .031 .059 |
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Ca3 0 .1453 .0865 .083 .083 |
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Wat1 .038 .077 .639 .31 .115 |
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Wat2 .297 .226 .493 .14 .109 |
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Wat3 .051 .079 .483 .16 .126 |
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Wat4 0 .151 .588 .09 .123 |
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|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Boggsite |
|
Zanardi S, Cruciani G, Alberti A, Galli E |
|
American Mineralogist 89 (2004) 1033-1042 |
|
Dehydration and rehydration process in boggsite: an in-situ X-ray single-crystal study |
|
Note: Ca represents an unknown distribution across the Ca sites of |
|
[Ca.806,Mg.138,Na.041,K.007,Fe.006,Sr.001] |
|
Note: Reported occupancies are discrepant with reported formula. |
|
Sample: BOG-350, T = 350 C |
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_database_code_amcsd 0003581 |
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20.053 23.838 12.850 90 90 90 Imma |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Al1 .18703 .18526 .6745 .23 .0381 .0419 .0319 .0404 .0013 .0009 -.0040 |
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Si1 .18703 .18526 .6745 .77 .0381 .0419 .0319 .0404 .0013 .0009 -.0040 |
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Al2 .18929 .02486 .3301 .31 .0413 .0460 .0458 .0319 .0025 -.0037 -.0033 |
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Si2 .18929 .02486 .3301 .69 .0413 .0460 .0458 .0319 .0025 -.0037 -.0033 |
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Al3 .07692 .18450 .8410 .23 .0412 .0367 .0322 .0547 .0020 .0046 .0066 |
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Si3 .07692 .18450 .8410 .77 .0412 .0367 .0322 .0547 .0020 .0046 .0066 |
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Al4 .07832 .02062 .1630 .20 .0391 .0339 .0463 .0368 .0000 -.0000 .0008 |
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Si4 .07832 .02062 .1630 .80 .0391 .0339 .0463 .0368 .0000 -.0000 .0008 |
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Al5 .21870 .08387 .5390 .05 .0407 .0439 .0396 .0383 -.0030 .0002 -.0079 |
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Si5 .21870 .08387 .5390 .95 .0407 .0439 .0396 .0383 -.0030 .0002 -.0079 |
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Al6 .12429 .08451 .9639 .04 .0443 .0462 .0404 .0460 -.0038 -.0042 .0075 |
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Si6 .12429 .08451 .9639 .96 .0443 .0462 .0404 .0460 -.0038 -.0042 .0075 |
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O1 .1823 .25 .6386 .058 .082 .034 .056 0 .002 0 |
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O2 .1200 .1655 .7383 .063 .061 .058 .070 -.006 .019 -.004 |
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O3 .1922 .1439 .5741 .066 .087 .052 .057 .011 -.000 -.020 |
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O4 .1916 .0690 .4263 .067 .088 .061 .050 .002 -.014 -.017 |
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O5 .1176 .0301 .2715 .072 .060 .098 .057 .007 -.017 -.008 |
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O6 .0873 .25 .8671 .066 .081 .034 .083 0 .002 0 |
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O7 0 .1689 .8104 .068 .032 .076 .094 0 0 -.000 |
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O8 0 .0221 .1882 .085 .039 .114 .100 0 0 -.021 |
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O9 .1902 .0398 .6243 .087 .142 .057 .060 -.019 .014 .009 |
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O10 .1007 .1465 .9392 .071 .104 .042 .064 .004 -.007 .011 |
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O11 .0987 .0650 .0743 .078 .105 .071 .056 -.004 .015 .024 |
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O12 .2030 .0806 .9588 .106 .041 .148 .128 -.004 -.011 .036 |
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O13 .0950 .0439 .8735 .078 .104 .055 .073 -.020 -.004 -.014 |
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O14 .25 .1745 .75 .071 .061 .074 .077 0 -.027 0 |
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O15 .25 -.0339 .75 .079 .059 .120 .056 0 -.019 0 |
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Ca1 .0785 .0797 .6956 .284 .084 .124 .055 .072 -.012 -.020 .003 |
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Ca2 0 .0859 .7456 .135 .115 |
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Ca3 0 .1388 .0729 .028 .070 |
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Ca3b 0 .0862 -.0469 .022 .062 |
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Ca4 .1944 .0807 .7831 .109 .069 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Boggsite |
|
Zanardi S, Cruciani G, Alberti A, Galli E |
|
American Mineralogist 89 (2004) 1033-1042 |
|
Dehydration and rehydration process in boggsite: an in-situ X-ray single-crystal study |
|
Note: Ca represents an unknown distribution across the Ca sites of |
|
[Ca.806,Mg.138,Na.041,K.007,Fe.006,Sr.001] |
|
Note: Reported occupancies are discrepant with reported formula. |
|
Sample: BOG-500, T = 500 C |
|
_database_code_amcsd 0003582 |
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20.041 23.814 12.869 90 90 90 Imma |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Al1 .18720 .18501 .6746 .22 .0427 .0475 .0363 .0441 .0009 .0012 -.0054 |
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Si1 .18720 .18501 .6746 .78 .0427 .0475 .0363 .0441 .0009 .0012 -.0054 |
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Al2 .18952 .02465 .3305 .30 .04557 .0487 .0519 .0359 .0024 -.0051 -.0027 |
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Si2 .18952 .02465 .3305 .70 .04557 .0487 .0519 .0359 .0024 -.0051 -.0027 |
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Al3 .07665 .18452 .8404 .24 .0463 .0405 .0371 .0613 .0023 .0061 .0073 |
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Si3 .07665 .18452 .8404 .76 .0463 .0405 .0371 .0613 .0023 .0061 .0073 |
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Al4 .07831 .01987 .1633 .23 .0442 .0380 .0533 .0410 -.0003 .0009 .0013 |
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Si4 .07831 .01987 .1633 .77 .0442 .0380 .0533 .0410 -.0003 .0009 .0013 |
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Al5 .21889 .08420 .5376 .04 .0448 .0468 .0451 .0422 -.0024 .0002 -.0080 |
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Si5 .21889 .08420 .5376 .96 .0448 .0468 .0451 .0422 -.0024 .0002 -.0080 |
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Al6 .12373 .08518 .9669 .04 .0483 .0489 .0459 .0499 -.0042 -.0044 .0081 |
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Si6 .12373 .08518 .9669 .96 .0483 .0489 .0459 .0499 -.0042 -.0044 .0081 |
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O1 .1841 .25 .6405 .067 .094 .036 .069 0 .004 0 |
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O2 .1208 .1660 .7388 .072 .068 .067 .080 -.007 .024 -.007 |
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O3 .1924 .1442 .5740 .072 .095 .057 .063 .012 -.001 -.021 |
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O4 .1905 .0685 .4266 .072 .092 .070 .053 .004 -.014 -.021 |
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O5 .1181 .0280 .2720 .077 .064 .106 .059 .003 -.018 -.006 |
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O6 .0868 .25 .8666 .076 .095 .037 .094 0 .004 0 |
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O7 0 .1687 .8087 .075 .037 .081 .104 0 0 .002 |
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O8 0 .0194 .1903 .087 .046 .117 .098 0 0 -.006 |
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O9 .1948 .0400 .6247 .100 .170 .062 .068 -.021 .017 .010 |
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O10 .0991 .1465 .9394 .080 .113 .050 .075 .006 -.010 .016 |
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O11 .0966 .0662 .0774 .081 .104 .077 .061 -.006 .015 .021 |
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O12 .2027 .0829 .9641 .115 .041 .168 .133 -.005 -.006 .036 |
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O13 .0967 .0436 .8776 .088 .122 .064 .077 -.018 -.007 -.013 |
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O14 .25 .1716 .75 .079 .068 .084 .084 0 -.033 0 |
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O15 .25 -.0344 .75 .088 .064 .135 .064 0 -.020 0 |
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Ca1 .0772 .0803 .7043 .243 .098 .147 .063 .084 -.010 -.036 .003 |
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Ca2 0 .0858 .7532 .120 .110 |
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Ca3 0 .1267 .0550 .023 .066 |
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Ca4 .1929 .0789 .7779 .166 .074 |
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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
|
| |
|
Boggsite |
|
Zanardi S, Cruciani G, Alberti A, Galli E |
|
American Mineralogist 89 (2004) 1033-1042 |
|
Dehydration and rehydration process in boggsite: an in-situ X-ray single-crystal study |
|
Note: Ca represents an unknown distribution across the Ca sites of |
|
[Ca.806,Mg.138,Na.041,K.007,Fe.006,Sr.001] |
|
Note: Reported occupancies are discrepant with reported formula. |
|
Sample: BOG-150-R, T = 150 C |
|
_database_code_amcsd 0003583 |
|
20.087 23.800 12.805 90 90 90 Imma |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Al1 .18746 .18525 .6732 .23 .0350 .0373 .0286 .0390 .0004 .0040 -.0033 |
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Si1 .18746 .18525 .6732 .77 .0350 .0373 .0286 .0390 .0004 .0040 -.0033 |
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Al2 .18913 .02434 .3300 .31 .0375 .0420 .0394 .0308 .0016 -.0062 -.0018 |
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Si2 .18913 .02434 .3300 .69 .0375 .0420 .0394 .0308 .0016 -.0062 -.0018 |
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Al3 .07719 .18446 .8389 .24 .0357 .0326 .0277 .0466 .0021 .0018 .0037 |
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Si3 .07719 .18446 .8389 .76 .0357 .0326 .0277 .0466 .0021 .0018 .0037 |
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Al4 .07795 .02185 .1630 .22 .0340 .0314 .0380 .0324 .0011 -.0002 .0022 |
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Si4 .07795 .02185 .1630 .78 .0340 .0314 .0380 .0324 .0011 -.0002 .0022 |
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Al5 .21920 .08338 .5392 .06 .0351 .0358 .0341 .0351 -.0020 .0004 -.0065 |
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Si5 .21920 .08338 .5392 .94 .0351 .0358 .0341 .0351 -.0020 .0004 -.0065 |
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Al6 .12437 .08371 .9614 .01 .0363 .0371 .0330 .0386 -.0021 -.0022 .0065 |
|
Si6 .12437 .08371 .9614 .99 .0363 .0371 .0330 .0386 -.0021 -.0022 .0065 |
|
O1 .1822 .25 .6347 .053 .079 .028 .050 0 .004 0 |
|
O2 .1191 .1664 .7341 .054 .047 .053 .059 -.004 .012 -.006 |
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O3 .1942 .1448 .5714 .061 .085 .042 .054 .014 -.001 -.017 |
|
O4 .1927 .0704 .4237 .060 .083 .052 .043 .001 -.017 -.014 |
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O5 .1165 .0316 .2729 .065 .061 .084 .050 .012 -.016 -.009 |
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O6 .0885 .25 .8668 .058 .077 .029 .065 0 .002 0 |
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O7 0 .1702 .8095 .061 .027 .069 .087 0 0 .012 |
|
O8 0 .0265 .1906 .072 .034 .088 .093 0 0 -.022 |
|
O9 .1863 .0395 .6210 .075 .116 .050 .057 -.014 .017 .004 |
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O10 .1019 .1463 .9374 .060 .089 .034 .055 .005 -.009 .007 |
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O11 .0995 .0667 .0749 .071 .103 .061 .047 -.006 .016 .017 |
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O12 .2026 .0782 .9558 .092 .038 .118 .117 -.001 -.001 .025 |
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O13 .0925 .0430 .8741 .068 .088 .046 .068 -.010 -.005 -.012 |
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O14 .25 .1761 .75 .062 .051 .055 .080 0 -.016 0 |
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O15 .25 -.0328 .75 .073 .056 .107 .054 0 -.010 0 |
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Ca1 .0727 .0791 .6767 .289 .071 .080 .045 .086 -.006 -.013 .008 |
|
Ca2 0 .0161 .3770 .034 .085 |
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Ca3 0 .142 .087 .063 .081 |
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Wat1 .039 .078 .644 .38 .134 |
|
Wat2 .301 .218 .514 .12 .097 |
|
Wat3 .050 .078 .491 .19 .127 |
|
Wat4 0 .138 .589 .06 .101 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Boggsite |
|
Zanardi S, Cruciani G, Alberti A, Galli E |
|
American Mineralogist 89 (2004) 1033-1042 |
|
Dehydration and rehydration process in boggsite: an in-situ X-ray single-crystal study |
|
Note: Ca represents an unknown distribution across the Ca sites of |
|
[Ca.806,Mg.138,Na.041,K.007,Fe.006,Sr.001] |
|
Note: Reported occupancies are discrepant with reported formula. |
|
Sample: BOG-RT-R, T = 25 C |
|
_database_code_amcsd 0003584 |
|
20.295 23.843 12.802 90 90 90 Imma |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Al1 .18883 .18540 .6721 .26 .0257 .028 .022 .026 -.0004 .0011 -.0022 |
|
Si1 .18883 .18540 .6721 .74 .0257 .028 .022 .026 -.0004 .0011 -.0022 |
|
Al2 .19043 .02428 .3300 .32 .0258 .031 .030 .020 .0003 -.0016 -.0009 |
|
Si2 .19043 .02428 .3300 .68 .0258 .031 .030 .020 .0003 -.0016 -.0009 |
|
Al3 .07696 .18537 .8355 .26 .0255 .027 .019 .029 .0006 -.0000 .0013 |
|
Si3 .07696 .18537 .8355 .74 .0255 .027 .019 .029 .0006 -.0000 .0013 |
|
Al4 .07748 .02163 .1648 .26 .0262 .026 .030 .021 .0002 .0007 .0010 |
|
Si4 .07748 .02163 .1648 .74 .0262 .026 .030 .021 .0002 .0007 .0010 |
|
Al5 .2219 .08343 .5383 .07 .0271 .028 .027 .025 -.0011 .0007 -.0036 |
|
Si5 .2219 .08343 .5383 .93 .0271 .028 .027 .025 -.0011 .0007 -.0036 |
|
Al6 .1221 .08402 .9664 .06 .0272 .029 .024 .027 -.0006 -.0001 .0046 |
|
Si6 .1221 .08402 .9664 .94 .0272 .029 .024 .027 -.0006 -.0001 .0046 |
|
O1 .1881 .25 .6282 .039 .060 .025 .033 0 .004 0 |
|
O2 .1190 .1709 .7304 .045 .046 .041 .046 -.004 .013 -.005 |
|
O3 .1957 .1454 .5687 .043 .060 .032 .035 .005 .002 -.005 |
|
O4 .1896 .0700 .4260 .047 .061 .045 .034 .003 -.008 -.009 |
|
O5 .1184 .0316 .2731 .049 .036 .070 .038 0 -.009 -.007 |
|
O6 .0899 .25 .8736 .036 .043 .024 .039 0 -.005 0 |
|
O7 0 .1755 .8031 .043 .025 .043 .061 0 0 -.011 |
|
O8 0 .0254 .1961 .048 .027 .075 .041 0 0 .003 |
|
O9 .1973 .0390 .6230 .060 .102 .038 .039 -.006 .012 .007 |
|
O10 .0980 .1458 .9342 .049 .073 .030 .041 .006 -.007 .007 |
|
O11 .0944 .0721 .0828 .052 .073 .043 .037 -.003 .016 .007 |
|
O12 .2002 .0826 .9715 .082 .027 .108 .109 -.000 .002 .040 |
|
O13 .0961 .0386 .8859 .058 .093 .032 .048 -.006 -.011 -.010 |
|
O14 .25 .1758 .75 .052 .046 .055 .053 0 -.020 0 |
|
O15 .25 -.0401 .75 .055 .046 .072 .045 0 -.010 0 |
|
Wat1 0 .179 .116 .35 .128 |
|
Wat2 .191 .162 .209 .29 .108 |
|
Wat3 .191 .25 .045 .34 .105 |
|
Wat4 .103 .158 .406 .26 .105 |
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Wat5 0 .172 .578 .28 .100 |
|
Wat6 0 .032 .403 .336 .104 |
|
Wat7 .069 .123 .400 .35 .098 |
|
Wat8 .055 .0781 .618 .34 .102 |
|
Wat9 .155 .25 .123 .386 .058 |
|
Wat10 .125 .25 .108 .27 .121 |
|
Wat11 .194 .25 .140 .22 .143 |
|
Wat12 .200 .25 .122 .28 .089 |
|
Wat13 0 .103 .395 .24 .104 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Tschernichite |
|
Alberti A, Cruciani G, Galli E, Merlino S, Millini R, Quartieri S, Vezzalini G, Zanardi S |
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Journal of Physical Chemistry B106 (2002) 10277-10284 |
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Crystal structure of tetragonal and monoclinic polytypes of tschernichite, |
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the natural counterpart of synthetic zeolite beta |
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Locality: Mt. Adamson, Northern Victoria Land, Antarctica |
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Sample: large crystal, monoclinic |
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_database_code_amcsd 0013153 |
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17.983 17.966 14.625 90 114.31 90 C2/c |
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atom x y z occ Uiso |
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Na1 .1438 .3576 .0005 .09 .039 |
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K1 .1438 .3576 .0005 .023 .039 |
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Mg1 .1438 .3576 .0005 .023 .039 |
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Ca1 .1438 .3576 .0005 .44 .039 |
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Ca2 .305 .521 -.004 .073 .03 |
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Ca3 .474 .696 .004 .079 .03 |
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Si1 .1708 .8334 .8880 .68 .014 |
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Al1 .1708 .8334 .8880 .32 .014 |
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Si2 .2070 .5437 .1145 .79 .017 |
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Al2 .2070 .5437 .1145 .21 .017 |
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Si3 .1924 .4185 .2512 .73 .016 |
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Al3 .1924 .4185 .2512 .27 .016 |
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Si4 .3940 .0186 .6136 .68 .018 |
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Al4 .3940 .0186 .6136 .32 .018 |
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Si5 .5201 .1450 .6140 .73 .018 |
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Al5 .5201 .1450 .6140 .27 .018 |
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Si6 .5 .2743 .75 .78 .014 |
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Al6 .5 .2743 .75 .22 .014 |
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Si7 .2971 .2926 .3892 .75 .014 |
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Al7 .2971 .2926 .3892 .25 .014 |
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Si8 .4193 .1693 .3862 .74 .016 |
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Al8 .4193 .1693 .3862 .26 .016 |
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Si9 .5 .1116 .25 .69 .016 |
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Al9 .5 .1116 .25 .31 .016 |
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O1 .2077 .9163 .8753 .032 |
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O2 .5784 .3306 .8014 .034 |
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O3 .2246 .7652 .8738 .033 |
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O4 .6681 .3329 .9996 .027 |
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O5 .2337 .4827 .2040 .032 |
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O6 .1451 .6024 .1324 .039 |
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O7 .1650 .5016 .0076 .026 |
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O8 .1672 .4554 .3359 .039 |
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O9 .2655 .3563 .3029 .041 |
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O10 .1153 .3825 .1592 .037 |
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O11 .4629 .0805 .6252 .047 |
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O12 .0637 .5621 .3419 .045 |
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O13 .5106 .2245 .6639 .041 |
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O14 .4987 .1623 .4944 .018 |
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O15 .3748 .2513 .3779 .032 |
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O16 .4506 .1689 .2959 .030 |
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Wat1 .156 .224 -.114 .58 .12 |
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Wat2 .118 .254 -.111 .45 .09 |
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Wat3 .286 .347 .117 .41 .07 |
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Wat4 .242 .378 -.108 .62 .11 |
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Wat5 .396 .427 .126 .17 .18 |
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Wat6 .478 .641 -.165 .26 .09 |
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Wat7 .013 .140 .025 .56 .14 |
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Wat8 .011 .021 -.019 .40 .04 |
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Wat9 .145 .011 .007 .61 .14 |
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Wat10 .091 .011 .194 .58 .14 |
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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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Tschernichite |
|
Alberti A, Cruciani G, Galli E, Merlino S, Millini R, Quartieri S, Vezzalini G, Zanardi S |
| |
Journal of Physical Chemistry B106 (2002) 10277-10284 |
|
Crystal structure of tetragonal and monoclinic polytypes of tschernichite, |
|
the natural counterpart of synthetic zeolite beta |
|
Locality: Mt. Adamson, Northern Victoria Land, Antarctica |
|
Sample: small crystal, tetragonal |
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Note: Mg position adjusted to match reported bond lengths |
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_database_code_amcsd 0013154 |
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12.634 12.634 26.608 90 90 90 P4_122 |
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atom x y z occ Uiso |
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Na -.291 -.300 .123 .04 .04 |
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Mg -.291 -.300 .123 .04 .04 |
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K1 0 -.123 0 .04 .11 |
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Ca1 0 -.123 0 .32 .11 |
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K2 0 .449 0 .03 .05 |
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Ca2 0 .449 0 .25 .05 |
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K3 -.5 -.318 0 .04 .10 |
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Ca3 -.5 -.318 0 .32 .10 |
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Si1 .4579 .2945 .0562 .70 .020 |
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Al1 .4579 .2945 .0562 .30 .020 |
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Si2 .4573 .0422 .0541 .90 .018 |
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Al2 .4573 .0422 .0541 .10 .018 |
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Si3 .2111 .2935 .0565 .85 .016 |
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Al3 .2111 .2935 .0565 .15 .016 |
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Si4 .2113 .0419 .0575 .83 .017 |
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Al4 .2113 .0419 .0575 .17 .017 |
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Si5 .8360 .2938 .0566 .99 .019 |
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Al5 .8360 .2938 .0566 .01 .019 |
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Si6 .8355 .0411 .0577 .76 .018 |
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Al6 .8355 .0411 .0577 .24 .018 |
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Si7 .0271 .3583 .1251 .78 .021 |
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Al7 .0271 .3583 .1251 .22 .021 |
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Si8 .0262 -.0262 .125 .71 .016 |
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Al8 .0262 -.0262 .125 .29 .016 |
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Si9 .6403 .3597 .125 .93 .019 |
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Al9 .6403 .3597 .125 .07 .019 |
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O1 .5 .3395 0 .023 |
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O2 .4691 .1639 .0608 .035 |
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O3 .3363 .3310 .0631 .039 |
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O4 .5267 .3542 .0994 .037 |
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O5 .5 .080 0 .030 |
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O6 .3340 .0018 .0626 .037 |
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O7 .5227 -.0180 .0993 .033 |
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O8 .2017 .1679 .0661 .047 |
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O9 .1643 .3224 .0018 .028 |
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O10 .1468 .3539 .1004 .036 |
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O11 .1641 .0056 .0024 .039 |
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O12 .1458 -.0208 .0998 .033 |
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O13 .8348 .1696 .0639 .050 |
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O14 .9374 .3480 .0809 .036 |
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O15 .7298 .3481 .0828 .057 |
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O16 .7296 -.0163 .0822 .035 |
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O17 .9412 -.0094 .0789 .050 |
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Wat1 -.186 -.229 .057 .55 .09 |
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Wat2 -.167 -.416 .056 .93 .22 |
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Wat3 0 .546 0 .38 .10 |
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Wat4 -.359 -.206 .005 .86 .19 |
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Wat6 -.463 -.323 .090 .67 .18 |
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Wat7 -.361 -.478 .006 .31 .11 |
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Wat10 -.155 -.346 -.002 .30 .06 |
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Wat11 -.334 -.334 -.125 .34 .08 |
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Wat13 0 -.203 0 .38 .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
|
| |
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