American Mineralogist Crystal Structure Database

11 matching records for this search.

Boggsite
Download hom/boggsite.pdf
Pluth J J, Smith J V
Download am/vol75/AM75_501.pdf
American Mineralogist 75 (1990) 501-507
Crystal structure of boggsite, a new high-silica zeolite with the first
three-dimensional channel system bounded by both 12- and 10-rings
_database_code_amcsd 0001303
20.236 23.798 12.798 90 90 90 Imma
atom      x      y     z  occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Si1  .18881 .18550 .6719  .81  .0189  .0140  .0196 -.0007  .0007 -.0024
Al1  .18881 .18550 .6719  .19  .0189  .0140  .0196 -.0007  .0007 -.0024
Si2  .19006 .02407 .3297  .81  .0214  .0226  .0145  .0001 -.0028 -.0002
Al2  .19006 .02407 .3297  .19  .0214  .0226  .0145  .0001 -.0028 -.0002
Si3  .07689 .18517 .8357  .81  .0164  .0123  .0204  .0003  .0006  .0021
Al3  .07689 .18517 .8357  .19  .0164  .0123  .0204  .0003  .0006  .0021
Si4  .07768 .02210 .1643  .81  .0154  .0226  .0155  .0001  .0007  .0012
Al4  .07768 .02210 .1643  .19  .0154  .0226  .0155  .0001  .0007  .0012
Si5  .22108 .08300 .5378  .81  .0169  .0171  .0176 -.0012  .0007 -.0060
Al5  .22108 .08300 .5378  .19  .0169  .0171  .0176 -.0012  .0007 -.0060
Si6  .12270 .08371 .9656  .81  .0175  .0166  .0176 -.0017 -.0002  .0037
Al6  .12270 .08371 .9656  .19  .0175  .0166  .0176 -.0017 -.0002  .0037
O1    .1882    .25 .6291        .046   .013   .032      0   .002      0
O2    .1194  .1707 .7322        .028   .034   .041  -.004   .009  -.009
O3    .1950  .1456 .5679        .053   .025   .026   .006      0  -.008
O4    .1900  .0702 .4236        .051   .037   .020   .007  -.008  -.011
O5    .1194  .0319 .2722        .024   .059   .026  -.001  -.008  -.004
O6    .0893    .25 .8731        .037   .017   .031      0  -.014      0
O7        0  .1738 .8043        .012   .033   .049      0      0  -.013
O8        0  .0263 .1968        .018   .070   .033      0      0  -.004
O9    .1944  .0379 .6204        .104   .028   .030  -.013   .016   .008
O10   .0978  .1464 .9327        .069   .015   .034   .006  -.006   .008
O11   .0959  .0725 .0813        .067   .037   .027  -.007   .016   .008
O12   .2007  .0800 .9682        .014   .103   .096  -.002   .004   .044
O13   .0949  .0395 .8847        .079   .025   .035  -.011  -.014  -.004
O14     .25  .1755   .75        .039   .033   .050      0  -.022      0
O15     .25 -.0375   .75        .027   .069   .031      0  -.010      0
Wat1      0  .1735  .136 1.85
Wat2  .1936  .1701  .203 1.35
Wat3  .1930    .25  .057 .920
Wat4  .1074  .1754  .372 1.16
Wat5      0  .1750  .570 3.20
Wat6      0  .0284  .429 .910
Wat7  .0562  .1147  .410 .630
Wat8  .0431  .0812  .626 .770
Wat9  .1490    .25  .237 .500
Wat10 .1060    .25  .086 .610
Wat11 .2060    .25  .401 1.32
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
Download hom/boggsite.pdf
Zanardi S, Cruciani G, Alberti A, Galli E
Download am/vol89/AM89_1033.pdf
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]
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)
Al1    .18888 .18535  .6719  .24  .0252  .0267   .020  .0284 -.0007   .0024 -.0020
Si1    .18888 .18535  .6719  .76  .0252  .0267   .020  .0284 -.0007   .0024 -.0020
Al2    .19034 .02428  .3298  .33  .0276   .030  .0295  .0222  .0003  -.0020 -.0014
Si2    .19034 .02428  .3298  .67  .0276   .030  .0295  .0222  .0003  -.0020 -.0014
Al3    .07700 .18526  .8355  .26  .0250  .0264   .019  .0295  .0005   .0002  .0010
Si3    .07700 .18526  .8355  .74  .0250  .0264   .019  .0295  .0005   .0002  .0010
Al4    .07744 .02186  .1645  .26  .0257   .025  .0285  .0232  .0005   .0005  .0005
Si4    .07744 .02186  .1645  .74  .0257   .025  .0285  .0232  .0005   .0005  .0005
Al5    .22159 .08334  .5383  .07  .0257   .026   .024  .0262 -.0005   .0007 -.0032
Si5    .22159 .08334  .5383  .93  .0257   .026   .024  .0262 -.0005   .0007 -.0032
Al6    .12247 .08391  .9660  .05  .0250   .025   .023  .0262 -.0007  -.0000  .0047
Si6    .12247 .08391  .9660  .95  .0250   .025   .023  .0262 -.0007  -.0000  .0047
O1      .1887    .25  .6288        .039   .062   .019 .03577   .000  .00593   .000
O2      .1191  .1713  .7297        .044   .044   .041   .046  -.002    .010  -.004
O3      .1962  .1456  .5686        .044   .057   .032   .041   .006    .000  -.006
O4      .1897  .0703  .4254        .048   .065   .046   .033   .001   -.006  -.009
O5      .1183  .0321  .2727        .048   .038   .067   .038  -.000   -.006  -.006
O6      .0899    .25  .8737        .035   .042   .023 .03829   .000 -.00304   .000
O7          0  .1755  .8034        .043   .027   .044   .055   .000       0  -.010
O8          0  .0258  .1946        .048   .031   .070   .041   .000       0   .003
O9      .1960  .0388  .6221        .059   .099   .037   .039  -.005    .014   .008
O10     .0986  .1457  .9338        .048   .071   .029   .042   .002   -.005   .006
O11     .0950  .0721  .0820        .052   .073   .044   .037  -.004    .016   .009
O12     .2005  .0819  .9702        .078   .025   .099   .110  -.002    .000   .039
O13     .0952  .0385  .8859        .058   .096   .032   .045  -.005   -.016  -.010
O14       .25  .1752    .75        .051   .049   .048   .053   .000   -.019   .000
O15       .25 -.0395    .75        .054   .046   .071   .043   .000   -.005   .000
Wat1      0     .179   .108  .48   .144
Wat2   .190     .162   .207  .42   .101
Wat3   .194      .25   .045  .47   .110
Wat4   .110     .165   .403  .38   .131
Wat5      0     .164   .592  .36   .113
Wat6      0     .030   .410  .42   .137
Wat7   .071     .124   .402  .36   .109
Wat8   .050     .076   .619  .40   .140
Wat9   .153      .25   .235  .32   .057
Wat10  .130      .25   .082  .37   .144
Wat11  .208      .25   .405  .21   .125
Wat12    .197    .25   .233  .37   .091
Wat13       0   .086   .414  .24   .103
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
Download hom/boggsite.pdf
Zanardi S, Cruciani G, Alberti A, Galli E
Download am/vol89/AM89_1033.pdf
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, T = 150 C
_database_code_amcsd 0003580
20.299 23.746 12.814 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    .18772 .18509  .6730  .22  .0348  .0373  .0278  .0392 -.0004   .0042 -.0032
Si1    .18772 .18509  .6730  .78  .0348  .0373  .0278  .0392 -.0004   .0042 -.0032
Al2    .18924 .02419  .3300  .30  .0370  .0407  .0393  .0309  .0012  -.0049 -.0014
Si2    .18924 .02419  .3300  .70  .0370  .0407  .0393  .0309  .0012  -.0049 -.0014
Al3    .07707 .18423  .8381  .23  .0358  .0334  .0284  .0454  .0007   .0024  .0038
Si3    .07707 .18423  .8381  .77  .0358  .0334  .0284  .0454  .0007   .0024  .0038
Al4    .07787 .02185  .1628  .23  .0339  .0324  .0382  .0311  .0016  -.0009  .0027
Si4    .07787 .02185  .1628  .77  .0339  .0324  .0382  .0311  .0016  -.0009  .0027
Al5    .21928 .08334  .5382  .04  .0338  .0351  .0322  .0341 -.0016   .0002 -.0061
Si5    .21928 .08334  .5382  .96  .0338  .0351  .0322  .0341 -.0016   .0002 -.0061
Al6    .12439 .08374  .9624  .03  .0352  .0349  .0325  .0380 -.0021  -.0022  .0060
Si6    .12439 .08374  .9624  .97  .0352  .0349  .0325  .0380 -.0021  -.0022  .0060
O1      .1827    .25  .6340        .055   .081   .032   .050      0    .003      0
O2      .1190  .1666  .7333        .055   .049   .052   .062  -.004    .015  -.005
O3      .1948  .1453  .5706        .060   .085   .042   .052   .013    .000  -.017
O4      .1922  .0710  .4228        .059   .080   .051   .044   .002   -.015  -.011
O5      .1170  .0315  .2726        .065   .057   .086   .052   .008   -.016  -.011
O6      .0880    .25  .8667        .058   .075   .029   .069      0    .004      0
O7          0  .1696  .8097        .063   .033   .062   .092      0       0   .006
O8          0  .0261  .1915        .071   .030   .090   .091      0       0  -.017
O9      .1869  .0393  .6189        .073   .113   .051   .053  -.013    .015   .003
O10     .1020  .1467  .9367        .062   .095   .035   .054   .009   -.009   .006
O11     .0985  .0678  .0756        .071   .103   .061   .047  -.005    .014   .017
O12     .2029  .0778  .9580        .091   .040   .122   .111  -.002   -.003   .028
O13     .0925  .0427  .8759        .068   .087   .047   .068  -.010   -.004  -.014
O14       .25  .1756    .75        .064   .055   .055   .081      0   -.021      0
O15       .25 -.0320    .75        .073   .055   .110   .053      0   -.015      0
Ca1     .0717  .0787  .6767 .278   .068   .075   .048   .080  -.009   -.018   .005
Ca2         0  .0278  .3690 .031   .059
Ca3         0  .1453  .0865 .083   .083
Wat1     .038   .077   .639  .31   .115
Wat2     .297   .226   .493  .14   .109
Wat3     .051   .079   .483  .16   .126
Wat4        0   .151   .588  .09   .123
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
Download hom/boggsite.pdf
Zanardi S, Cruciani G, Alberti A, Galli E
Download am/vol89/AM89_1033.pdf
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
_database_code_amcsd 0003581
20.053 23.838 12.850 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    .18703 .18526  .6745  .23  .0381  .0419  .0319  .0404  .0013   .0009 -.0040
Si1    .18703 .18526  .6745  .77  .0381  .0419  .0319  .0404  .0013   .0009 -.0040
Al2    .18929 .02486  .3301  .31  .0413  .0460  .0458  .0319  .0025  -.0037 -.0033
Si2    .18929 .02486  .3301  .69  .0413  .0460  .0458  .0319  .0025  -.0037 -.0033
Al3    .07692 .18450  .8410  .23  .0412  .0367  .0322  .0547  .0020   .0046  .0066
Si3    .07692 .18450  .8410  .77  .0412  .0367  .0322  .0547  .0020   .0046  .0066
Al4    .07832 .02062  .1630  .20  .0391  .0339  .0463  .0368  .0000  -.0000  .0008
Si4    .07832 .02062  .1630  .80  .0391  .0339  .0463  .0368  .0000  -.0000  .0008
Al5    .21870 .08387  .5390  .05  .0407  .0439  .0396  .0383 -.0030   .0002 -.0079
Si5    .21870 .08387  .5390  .95  .0407  .0439  .0396  .0383 -.0030   .0002 -.0079
Al6    .12429 .08451  .9639  .04  .0443  .0462  .0404  .0460 -.0038  -.0042  .0075
Si6    .12429 .08451  .9639  .96  .0443  .0462  .0404  .0460 -.0038  -.0042  .0075
O1      .1823    .25  .6386        .058   .082   .034   .056      0    .002      0
O2      .1200  .1655  .7383        .063   .061   .058   .070  -.006    .019  -.004
O3      .1922  .1439  .5741        .066   .087   .052   .057   .011   -.000  -.020
O4      .1916  .0690  .4263        .067   .088   .061   .050   .002   -.014  -.017
O5      .1176  .0301  .2715        .072   .060   .098   .057   .007   -.017  -.008
O6      .0873    .25  .8671        .066   .081   .034   .083      0    .002      0
O7          0  .1689  .8104        .068   .032   .076   .094      0       0  -.000
O8          0  .0221  .1882        .085   .039   .114   .100      0       0  -.021
O9      .1902  .0398  .6243        .087   .142   .057   .060  -.019    .014   .009
O10     .1007  .1465  .9392        .071   .104   .042   .064   .004   -.007   .011
O11     .0987  .0650  .0743        .078   .105   .071   .056  -.004    .015   .024
O12     .2030  .0806  .9588        .106   .041   .148   .128  -.004   -.011   .036
O13     .0950  .0439  .8735        .078   .104   .055   .073  -.020   -.004  -.014
O14       .25  .1745    .75        .071   .061   .074   .077      0   -.027      0
O15       .25 -.0339    .75        .079   .059   .120   .056      0   -.019      0
Ca1     .0785  .0797  .6956 .284   .084   .124   .055   .072  -.012   -.020   .003
Ca2         0  .0859  .7456 .135   .115
Ca3         0  .1388  .0729 .028   .070
Ca3b        0  .0862 -.0469 .022   .062
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 (permalink)
 
Boggsite
Download hom/boggsite.pdf
Zanardi S, Cruciani G, Alberti A, Galli E
Download am/vol89/AM89_1033.pdf
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
20.041 23.814 12.869 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    .18720 .18501  .6746  .22  .0427  .0475  .0363  .0441  .0009   .0012 -.0054
Si1    .18720 .18501  .6746  .78  .0427  .0475  .0363  .0441  .0009   .0012 -.0054
Al2    .18952 .02465  .3305  .30 .04557  .0487  .0519  .0359  .0024  -.0051 -.0027
Si2    .18952 .02465  .3305  .70 .04557  .0487  .0519  .0359  .0024  -.0051 -.0027
Al3    .07665 .18452  .8404  .24  .0463  .0405  .0371  .0613  .0023   .0061  .0073
Si3    .07665 .18452  .8404  .76  .0463  .0405  .0371  .0613  .0023   .0061  .0073
Al4    .07831 .01987  .1633  .23  .0442  .0380  .0533  .0410 -.0003   .0009  .0013
Si4    .07831 .01987  .1633  .77  .0442  .0380  .0533  .0410 -.0003   .0009  .0013
Al5    .21889 .08420  .5376  .04  .0448  .0468  .0451  .0422 -.0024   .0002 -.0080
Si5    .21889 .08420  .5376  .96  .0448  .0468  .0451  .0422 -.0024   .0002 -.0080
Al6    .12373 .08518  .9669  .04  .0483  .0489  .0459  .0499 -.0042  -.0044  .0081
Si6    .12373 .08518  .9669  .96  .0483  .0489  .0459  .0499 -.0042  -.0044  .0081
O1      .1841    .25  .6405        .067   .094   .036   .069      0    .004      0
O2      .1208  .1660  .7388        .072   .068   .067   .080  -.007    .024  -.007
O3      .1924  .1442  .5740        .072   .095   .057   .063   .012   -.001  -.021
O4      .1905  .0685  .4266        .072   .092   .070   .053   .004   -.014  -.021
O5      .1181  .0280  .2720        .077   .064   .106   .059   .003   -.018  -.006
O6      .0868    .25  .8666        .076   .095   .037   .094      0    .004      0
O7          0  .1687  .8087        .075   .037   .081   .104      0       0   .002
O8          0  .0194  .1903        .087   .046   .117   .098      0       0  -.006
O9      .1948  .0400  .6247        .100   .170   .062   .068  -.021    .017   .010
O10     .0991  .1465  .9394        .080   .113   .050   .075   .006   -.010   .016
O11     .0966  .0662  .0774        .081   .104   .077   .061  -.006    .015   .021
O12     .2027  .0829  .9641        .115   .041   .168   .133  -.005   -.006   .036
O13     .0967  .0436  .8776        .088   .122   .064   .077  -.018   -.007  -.013
O14       .25  .1716    .75        .079   .068   .084   .084      0   -.033      0
O15       .25 -.0344    .75        .088   .064   .135   .064      0   -.020      0
Ca1     .0772  .0803  .7043 .243   .098   .147   .063   .084  -.010   -.036   .003
Ca2         0  .0858  .7532 .120   .110
Ca3         0  .1267  .0550 .023   .066
Ca4     .1929  .0789  .7779 .166   .074
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
Download hom/boggsite.pdf
Zanardi S, Cruciani G, Alberti A, Galli E
Download am/vol89/AM89_1033.pdf
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
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    .18746 .18525  .6732  .23  .0350  .0373  .0286  .0390  .0004   .0040 -.0033
Si1    .18746 .18525  .6732  .77  .0350  .0373  .0286  .0390  .0004   .0040 -.0033
Al2    .18913 .02434  .3300  .31  .0375  .0420  .0394  .0308  .0016  -.0062 -.0018
Si2    .18913 .02434  .3300  .69  .0375  .0420  .0394  .0308  .0016  -.0062 -.0018
Al3    .07719 .18446  .8389  .24  .0357  .0326  .0277  .0466  .0021   .0018  .0037
Si3    .07719 .18446  .8389  .76  .0357  .0326  .0277  .0466  .0021   .0018  .0037
Al4    .07795 .02185  .1630  .22  .0340  .0314  .0380  .0324  .0011  -.0002  .0022
Si4    .07795 .02185  .1630  .78  .0340  .0314  .0380  .0324  .0011  -.0002  .0022
Al5    .21920 .08338  .5392  .06  .0351  .0358  .0341  .0351 -.0020   .0004 -.0065
Si5    .21920 .08338  .5392  .94  .0351  .0358  .0341  .0351 -.0020   .0004 -.0065
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
O3      .1942  .1448  .5714        .061   .085   .042   .054   .014   -.001  -.017
O4      .1927  .0704  .4237        .060   .083   .052   .043   .001   -.017  -.014
O5      .1165  .0316  .2729        .065   .061   .084   .050   .012   -.016  -.009
O6      .0885    .25  .8668        .058   .077   .029   .065      0    .002      0
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
O10     .1019  .1463  .9374        .060   .089   .034   .055   .005   -.009   .007
O11     .0995  .0667  .0749        .071   .103   .061   .047  -.006    .016   .017
O12     .2026  .0782  .9558        .092   .038   .118   .117  -.001   -.001   .025
O13     .0925  .0430  .8741        .068   .088   .046   .068  -.010   -.005  -.012
O14       .25  .1761    .75        .062   .051   .055   .080      0   -.016      0
O15       .25 -.0328    .75        .073   .056   .107   .054      0   -.010      0
Ca1     .0727  .0791  .6767 .289   .071   .080   .045   .086  -.006   -.013   .008
Ca2         0  .0161  .3770 .034   .085
Ca3         0   .142   .087 .063   .081
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)
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Boggsite
Download hom/boggsite.pdf
Zanardi S, Cruciani G, Alberti A, Galli E
Download am/vol89/AM89_1033.pdf
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
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)
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Boggsite
Download hom/boggsite.pdf
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
O3    .199  .146  .566       .023
O4    .183  .072  .423       .023
O5    .115  .035  .274       .023
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
O11   .086  .074  .085       .023
O12   .199 .0732  .967       .023
O13   .099  .037  .881       .023
O14    .25  .173   .75       .023
O15    .25 -.027   .75       .023
CaX1   .00  .178  .132  .48  .154
OX2   .181 .1653  .235 1.29  .154
OX3   .204   .25  .090  .56  .154
OX4   .099  .183  .463  .65  .154
OX5    .00   .25  .555  .81  .154
OX6    .00 -.043  .417 1.11  .154
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)
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Boggsite
Download hom/boggsite.pdf
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
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
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)
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Boggsite
Download hom/boggsite.pdf
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)
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Boggsite
Download hom/boggsite.pdf
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
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Total number of retrieved datasets: 11
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