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Boggsite |
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Pluth J J, Smith J V |
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American Mineralogist 75 (1990) 501-507 |
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Crystal structure of boggsite, a new high-silica zeolite with the first |
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three-dimensional channel system bounded by both 12- and 10-rings |
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_database_code_amcsd 0001303 |
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20.236 23.798 12.798 90 90 90 Imma |
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atom x y z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Si1 .18881 .18550 .6719 .81 .0189 .0140 .0196 -.0007 .0007 -.0024 |
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Al1 .18881 .18550 .6719 .19 .0189 .0140 .0196 -.0007 .0007 -.0024 |
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Si2 .19006 .02407 .3297 .81 .0214 .0226 .0145 .0001 -.0028 -.0002 |
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Al2 .19006 .02407 .3297 .19 .0214 .0226 .0145 .0001 -.0028 -.0002 |
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Si3 .07689 .18517 .8357 .81 .0164 .0123 .0204 .0003 .0006 .0021 |
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Al3 .07689 .18517 .8357 .19 .0164 .0123 .0204 .0003 .0006 .0021 |
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Si4 .07768 .02210 .1643 .81 .0154 .0226 .0155 .0001 .0007 .0012 |
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Al4 .07768 .02210 .1643 .19 .0154 .0226 .0155 .0001 .0007 .0012 |
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Si5 .22108 .08300 .5378 .81 .0169 .0171 .0176 -.0012 .0007 -.0060 |
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Al5 .22108 .08300 .5378 .19 .0169 .0171 .0176 -.0012 .0007 -.0060 |
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Si6 .12270 .08371 .9656 .81 .0175 .0166 .0176 -.0017 -.0002 .0037 |
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Al6 .12270 .08371 .9656 .19 .0175 .0166 .0176 -.0017 -.0002 .0037 |
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O1 .1882 .25 .6291 .046 .013 .032 0 .002 0 |
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O2 .1194 .1707 .7322 .028 .034 .041 -.004 .009 -.009 |
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O3 .1950 .1456 .5679 .053 .025 .026 .006 0 -.008 |
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O4 .1900 .0702 .4236 .051 .037 .020 .007 -.008 -.011 |
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O5 .1194 .0319 .2722 .024 .059 .026 -.001 -.008 -.004 |
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O6 .0893 .25 .8731 .037 .017 .031 0 -.014 0 |
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O7 0 .1738 .8043 .012 .033 .049 0 0 -.013 |
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O8 0 .0263 .1968 .018 .070 .033 0 0 -.004 |
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O9 .1944 .0379 .6204 .104 .028 .030 -.013 .016 .008 |
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O10 .0978 .1464 .9327 .069 .015 .034 .006 -.006 .008 |
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O11 .0959 .0725 .0813 .067 .037 .027 -.007 .016 .008 |
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O12 .2007 .0800 .9682 .014 .103 .096 -.002 .004 .044 |
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O13 .0949 .0395 .8847 .079 .025 .035 -.011 -.014 -.004 |
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O14 .25 .1755 .75 .039 .033 .050 0 -.022 0 |
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O15 .25 -.0375 .75 .027 .069 .031 0 -.010 0 |
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Wat1 0 .1735 .136 1.85 |
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Wat2 .1936 .1701 .203 1.35 |
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Wat3 .1930 .25 .057 .920 |
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Wat4 .1074 .1754 .372 1.16 |
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Wat5 0 .1750 .570 3.20 |
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Wat6 0 .0284 .429 .910 |
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Wat7 .0562 .1147 .410 .630 |
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Wat8 .0431 .0812 .626 .770 |
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Wat9 .1490 .25 .237 .500 |
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Wat10 .1060 .25 .086 .610 |
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Wat11 .2060 .25 .401 1.32 |
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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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Boggsite |
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Zanardi S, Cruciani G, Alberti A, Galli E |
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American Mineralogist 89 (2004) 1033-1042 |
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Dehydration and rehydration process in boggsite: an in-situ X-ray single-crystal study |
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Note: Wat represents an unknown distribution across the Wat sites of |
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[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. |
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Sample: BOG-RT, T = 25 C |
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_database_code_amcsd 0003579 |
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20.291 23.840 12.807 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 .18888 .18535 .6719 .24 .0252 .0267 .020 .0284 -.0007 .0024 -.0020 |
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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)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
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Boggsite |
|
Zanardi S, Cruciani G, Alberti A, Galli E |
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American Mineralogist 89 (2004) 1033-1042 |
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Dehydration and rehydration process in boggsite: an in-situ X-ray single-crystal study |
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Note: Ca represents an unknown distribution across the Ca sites of |
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[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)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
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 |
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[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-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 |
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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) |
| |
|
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-500, T = 500 C |
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_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 (permalink) |
| |
|
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 |
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_database_code_amcsd 0003583 |
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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 |
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Si6 .12437 .08371 .9614 .99 .0363 .0371 .0330 .0386 -.0021 -.0022 .0065 |
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O1 .1822 .25 .6347 .053 .079 .028 .050 0 .004 0 |
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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 |
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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 |
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O8 0 .0265 .1906 .072 .034 .088 .093 0 0 -.022 |
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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 |
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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 |
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Wat2 .301 .218 .514 .12 .097 |
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Wat3 .050 .078 .491 .19 .127 |
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Wat4 0 .138 .589 .06 .101 |
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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) |
| |
|
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 |
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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 |
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O10 .0980 .1458 .9342 .049 .073 .030 .041 .006 -.007 .007 |
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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 |
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O14 .25 .1758 .75 .052 .046 .055 .053 0 -.020 0 |
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O15 .25 -.0401 .75 .055 .046 .072 .045 0 -.010 0 |
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Wat1 0 .179 .116 .35 .128 |
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Wat2 .191 .162 .209 .29 .108 |
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Wat3 .191 .25 .045 .34 .105 |
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Wat4 .103 .158 .406 .26 .105 |
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Wat5 0 .172 .578 .28 .100 |
|
Wat6 0 .032 .403 .336 .104 |
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Wat7 .069 .123 .400 .35 .098 |
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Wat8 .055 .0781 .618 .34 .102 |
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Wat9 .155 .25 .123 .386 .058 |
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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 (permalink) |
| |
|
Boggsite |
|
Arletti R, Quartieri S, Vezzalini G |
| |
American Mineralogist 95 (2010) 1247-1256 |
|
Elastic behavior of zeolite boggsite in silicon oil and aqueous medium: |
|
A case of high-pressure-induced over hydration, |
|
Sample: P = 0.0 GPa |
|
Note: assignment of site chemistry does not match chemical analysis |
|
_database_code_amcsd 0017092 |
|
20.3266 23.8760 12.8252 90 90 90 Imma |
|
atom x y z occ Uiso |
|
Si1 .1889 .1870 .670 .0163 |
|
Si2 .1873 .0257 .329 .0163 |
|
Si3 .0751 .1839 .833 .0163 |
|
Si4 .0772 .0175 .165 .0163 |
|
Si5 .2226 .0819 .541 .0163 |
|
Si6 .1231 .0848 .967 .0163 |
|
O1 .195 .25 .614 .023 |
|
O2 .120 .173 .733 .023 |
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O3 .199 .146 .566 .023 |
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O4 .183 .072 .423 .023 |
|
O5 .115 .035 .274 .023 |
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O6 .092 .25 .872 .023 |
|
O7 .00 .175 .794 .023 |
|
O8 .00 .027 .196 .023 |
|
O9 .186 .0391 .619 .023 |
|
O10 .106 .1515 .942 .023 |
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O11 .086 .074 .085 .023 |
|
O12 .199 .0732 .967 .023 |
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O13 .099 .037 .881 .023 |
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O14 .25 .173 .75 .023 |
|
O15 .25 -.027 .75 .023 |
|
CaX1 .00 .178 .132 .48 .154 |
|
OX2 .181 .1653 .235 1.29 .154 |
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OX3 .204 .25 .090 .56 .154 |
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OX4 .099 .183 .463 .65 .154 |
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OX5 .00 .25 .555 .81 .154 |
|
OX6 .00 -.043 .417 1.11 .154 |
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CaX7 .063 .153 .376 .40 .154 |
|
OX8 .035 .135 .585 .72 .154 |
|
CaX9 .062 .25 .286 .46 .154 |
|
OX10 .125 .25 .070 1.07 .154 |
|
OX11 .202 .25 .369 .73 .154 |
|
OX12 .219 .25 .243 .45 .154 |
|
OX13 .00 .060 .408 .98 .154 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Boggsite |
|
Arletti R, Quartieri S, Vezzalini G |
| |
American Mineralogist 95 (2010) 1247-1256 |
|
Elastic behavior of zeolite boggsite in silicon oil and aqueous medium: |
|
A case of high-pressure-induced over hydration, |
|
Sample: P = 2.5 GPa |
|
Note: assignment of site chemistry does not match chemical analysis |
|
_database_code_amcsd 0017093 |
|
20.082 23.613 12.709 90 90 90 Imma |
|
atom x y z occ Uiso |
|
Si1 .1907 .1862 .6680 .015 |
|
Si2 .1855 .0256 .322 .015 |
|
Si3 .0781 .1860 .833 .015 |
|
Si4 .078 .0198 .164 .015 |
|
Si5 .2217 .0784 .543 .015 |
|
Si6 .1259 .0843 .963 .015 |
|
O1 .180 .25 .614 .027 |
|
O2 .123 .168 .729 .027 |
|
O3 .201 .144 .569 .027 |
|
O4 .201 .068 .418 .027 |
|
O5 .110 .037 .274 .027 |
|
O6 .100 .25 .857 .027 |
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O7 .00 .173 .833 .027 |
|
O8 .00 .029 .197 .027 |
|
O9 .187 .032 .614 .027 |
|
O10 .093 .146 .936 .027 |
|
O11 .080 .065 .063 .027 |
|
O12 .203 .085 .976 .027 |
|
O13 .103 .044 .866 .027 |
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O14 .25 .183 .75 .027 |
|
O15 .25 -.023 .75 .027 |
|
CaX1 .00 .186 .172 .51 .164 |
|
OX2 .164 .157 .206 1.30 .164 |
|
OX3 .229 .25 .058 .87 .164 |
|
OX4 .092 .136 .421 .70 .164 |
|
OX5 .00 .25 .577 1.65 .164 |
|
OX6 .00 -.040 .449 1.19 .164 |
|
CaX7 .089 .171 .417 .40 .164 |
|
OX8 .044 .110 .621 .77 .164 |
|
CaX9 .046 .25 .291 .42 .164 |
|
OX10 .117 .25 .061 .99 .164 |
|
OX11 .193 .25 .340 .97 .164 |
|
OX12 .190 .25 .213 .81 .164 |
|
OX13 .0 .088 .352 .91 .164 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Boggsite |
|
Arletti R, Quartieri S, Vezzalini G |
| |
American Mineralogist 95 (2010) 1247-1256 |
|
Elastic behavior of zeolite boggsite in silicon oil and aqueous medium: |
|
A case of high-pressure-induced over hydration, |
|
Sample: P = 3.6 GPa |
|
Note: assignment of site chemistry does not match chemical analysis |
|
_database_code_amcsd 0017094 |
|
19.949 23.445 12.607 90 90 90 Imma |
|
atom x y z occ Uiso |
|
Si1 .1891 .1880 .679 .015 |
|
Si2 .1883 .0230 .318 .015 |
|
Si3 .0788 .1821 .838 .015 |
|
Si4 .0802 .0183 .165 .015 |
|
Si5 .2179 .0783 .542 .015 |
|
Si6 .1260 .0818 .965 .015 |
|
O1 .187 .25 .613 .051 |
|
O2 .118 .173 .726 .051 |
|
O3 .209 .145 .573 .051 |
|
O4 .204 .067 .417 .051 |
|
O5 .112 .040 .277 .051 |
|
O6 .092 .25 .858 .051 |
|
O7 0 .172 .812 .051 |
|
O8 0 .027 .172 .051 |
|
O9 .175 .037 .617 .051 |
|
O10 .093 .142 .942 .051 |
|
O11 .088 .071 .078 .051 |
|
O12 .204 .073 .974 .051 |
|
O13 .106 .046 .863 .051 |
|
O14 .25 .1927 .75 .051 |
|
O15 .25 -.0462 .75 .051 |
|
CaX1 0 .198 .119 .51 .165 |
|
OX2 .173 .157 .195 1.16 .165 |
|
OX3 .306 .25 .115 .88 .165 |
|
OX4 .098 .155 .315 .77 .165 |
|
OX5 0 .25 .559 1.61 .165 |
|
OX6 0 -.042 .441 1.19 .165 |
|
CaX7 .079 .163 .443 .37 .165 |
|
OX8 .0504 .111 .605 .85 .165 |
|
CaX9 .012 .25 .319 .45 .165 |
|
OX10 .175 .25 .006 1.19 .165 |
|
OX11 .123 .25 .232 1.01 .165 |
|
OX12 .222 .25 .157 .86 .165 |
|
OX13 0 .057 .359 .90 .165 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
|
Boggsite |
|
Arletti R, Quartieri S, Vezzalini G |
| |
American Mineralogist 95 (2010) 1247-1256 |
|
Elastic behavior of zeolite boggsite in silicon oil and aqueous medium: |
|
A case of high-pressure-induced over hydration, |
|
Sample: P = 0.0 GPa on release of pressure |
|
Note: assignment of site chemistry does not match chemical analysis |
|
_database_code_amcsd 0017095 |
|
20.326 23.883 12.836 90 90 90 Imma |
|
atom x y z occ Uiso |
|
Si1 .1889 .1853 .669 .015 |
|
Si2 .1852 .0209 .324 .015 |
|
Si3 .0774 .1854 .834 .015 |
|
Si4 .0780 .0236 .167 .015 |
|
Si5 .2237 .0796 .532 .015 |
|
Si6 .1211 .0826 .960 .015 |
|
O1 .185 .25 .628 .012 |
|
O2 .117 .173 .727 .012 |
|
O3 .202 .141 .576 .012 |
|
O4 .189 .071 .415 .012 |
|
O5 .114 .044 .275 .012 |
|
O6 .084 .25 .867 .012 |
|
O7 .00 .173 .801 .012 |
|
O8 .00 .028 .196 .012 |
|
O9 .191 .0404 .618 .012 |
|
O10 .098 .1450 .931 .012 |
|
O11 .092 .0678 .074 .012 |
|
O12 .1988 .0812 .968 .012 |
|
O13 .103 .0375 .874 .012 |
|
O14 .25 .185 .75 .012 |
|
O15 .25 -.0266 .75 .012 |
|
CaX1 .00 .180 .144 .53 .174 |
|
OX2 .186 .164 .221 1.15 .174 |
|
OX3 .198 .25 .077 .59 .174 |
|
OX4 .130 .177 .495 .53 .174 |
|
OX5 .00 .25 .520 .96 .174 |
|
OX6 .00 -.044 .409 1.11 .174 |
|
CaX7 .079 .142 .379 .44 .174 |
|
OX8 .050 .141 .577 .71 .174 |
|
CaX9 .064 .25 .294 .41 .174 |
|
OX10 .107 .25 .075 .91 .174 |
|
OX11 .179 .25 .351 .96 .174 |
|
OX12 .218 .25 .157 .44 .174 |
|
OX13 .00 .079 .407 .90 .174 |
|
|
| 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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