American Mineralogist Crystal Structure Database

8 matching records for this search.

Alum-(K)
Download hom/alumk.pdf
Nyburg S C, Steed J, Aleksovska S, Petrusevski V M
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=56&spage=204
Acta Crystallographica B56 (2000) 204-209
Structure of the alums. I. On the sulfate group disorder in the alpha-alums
Locality: synthetic
Sample: T = 296 K
_database_code_amcsd 0009911
12.1640 12.1640 12.1640 90 90 90 Pa3
atom      x      y       z  occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
K        .5     .5      .5      .0492  .0492  .0492  .0492  .0104  .0104  .0104
Al        0      0       0      .0208  .0208  .0208  .0208 -.0004 -.0004 -.0004
S    .30764 .30764  .30764      .0265  .0265  .0265  .0265  .0037  .0034  .0037
O3   .23898 .23898  .23898 .697 .0633  .0633  .0633  .0633 -.0121 -.0121 -.0121
O3A   .3749  .3749   .3749 .303 .0820   .082   .082   .082  -.028  -.028  -.028
O4    .2648 .42078  .30973 .697 .0479  .0620  .0378   .044  .0213  .0212  .0115
O4A   .2853  .2042   .3643 .303 .0501   .048   .037   .066   .012   .023   .027
O1   .15176 .01980 -.01855      .0308  .0237  .0385  .0303 -.0046  .0013  .0013
O2   .04633 .13357  .30258      .0417  .0443  .0396  .0413  .0008 -.0050 -.0052
H11   .1752  .0350  -.0683       .044
H12    .198   .025    .038       .061
H21    .104   .160    .299       .077
H22    .008   .184    .290       .060
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Alum-(K)
Download hom/alumk.pdf
Nyburg S C, Steed J, Aleksovska S, Petrusevski V M
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=56&spage=204
Acta Crystallographica B56 (2000) 204-209
Structure of the alums. I. On the sulfate group disorder in the alpha-alums
Locality: synthetic
Sample: T = 173 K
_database_code_amcsd 0009912
12.1350 12.1350 12.1350 90 90 90 Pa3
atom      x      y       z  occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
K        .5     .5      .5      .0271  .0271  .0271  .0271  .0082  .0082  .0082
Al        0      0       0      .0130  .0130  .0130  .0130  .0001  .0001  .0001
S    .30610 .30610  .30610      .0150  .0150  .0150  .0150  .0018  .0018  .0018
O3   .23606 .23606  .23606 .787 .0294  .0294  .0294  .0294 -.0038 -.0038 -.0038
O3A   .3746  .3746   .3746 .213 .0226   .023   .023   .023  -.007  -.007  -.007
O4   .26302 .41979  .30624 .787 .0240  .0299  .0194  .0226  .0088  .0074  .0044
O4A   .2808  .2000   .3614 .213 .0185   .019   .016   .020   .002   .004   .009
O1   .15173 .02080 -.01985      .0191  .0150  .0231  .0190 -.0021  .0007  .0014
O2   .04692 .13071  .30399      .0232  .0233  .0227  .0235  .0007  .0022 -.0011
H11   .1750  .0365  -.0726       .034
H12   .1982  .0262    .034       .048
H21    .104   .155   .3000       .044
H22   .0009  .1821   .2914       .042
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
KCr(SO4)2*12H2O
 
Nyburg S C, Steed J, Aleksovska S, Petrusevski V M
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=56&spage=204
Acta Crystallographica B56 (2000) 204-209
Structure of the alums. I. On the sulfate group disorder in the alpha-alums
Sample: T = 296 K
_database_code_amcsd 0009913
12.2305 12.2305 12.2305 90 90 90 Pa3
atom      x      y      z  occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
K        .5     .5     .5      .0767  .0767  .0767  .0767  .0088  .0088  .0088
Cr        0      0      0      .0194  .0194  .0194  .0194 -.0007 -.0007 -.0007
S    .31011 .31011 .31011      .0267  .0267  .0267  .0267  .0035  .0035  .0035
O3    .2420  .2420  .2420 .766 .0660  .0660  .0660  .0660 -.0151 -.0151 -.0151
O3A   .3751  .3751  .3751 .234 .1360   .136   .136   .136  -.057  -.057  -.057
O4    .2682  .4227  .3128 .766 .0484  .0670  .0356  .0422  .0213  .0214  .0106
O4A   .2921  .2100  .3690 .234 .0720   .071   .049   .096   .030   .048   .054
O1   .15869 .01364 -.0145      .0310  .0223  .0415  .0293 -.0049  .0017  .0019
O2    .0470 .13945 .30272      .0430  .0456  .0402  .0433  .0019 -.0060 -.0064
H11    .178   .030  -.056       .020
H12    .200   .022   .040       .038
H21    .105   .164   .301       .091
H22    .014   .193   .312       .120
Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
KCr(SO4)2*12H2O
 
Nyburg S C, Steed J, Aleksovska S, Petrusevski V M
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=56&spage=204
Acta Crystallographica B56 (2000) 204-209
Structure of the alums. I. On the sulfate group disorder in the alpha-alums
Sample: T = 173 K
_database_code_amcsd 0009914
12.2133 12.2133 12.2133 90 90 90 Pa3
atom      x      y      z  occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
K        .5     .5     .5      .0562  .0562  .0562  .0562  .0097  .0097  .0097
Cr        0      0      0      .0111  .0111  .0111  .0111 -.0005 -.0005 -.0005
S    .30918 .30918 .30918      .0150  .0150  .0150  .0150  .0026  .0026  .0026
O3    .2403  .2403  .2403 .913 .0400  .0400  .0400  .0400 -.0060 -.0060 -.0060
O3A   .3782  .3782  .3782 .087 .0320   .032   .032   .032  -.022  -.022  -.022
O4    .2660 .42175 .31071 .913 .0303  .0398  .0238  .0271  .0150  .0118  .0076
O4A   .2856  .2030  .3612 .087 .0140   .015   .003   .023   .010   .024   .023
O1   .15926 .01347 -.0155      .0189  .0135  .0256  .0177 -.0036  .0018  .0019
O2    .0473 .13690 .30445      .0255  .0247  .0248  .0270  .0001 -.0038 -.0031
H11    .181   .026  -.062       .016
H12    .200   .017   .042       .012
H21    .087   .160   .292       .046
H22    .006   .178   .287       .016
Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Lanmuchangite
Download hom/lanmuchangite.pdf
Nyburg S C, Steed J, Aleksovska S, Petrusevski V M
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=56&spage=204
Acta Crystallographica B56 (2000) 204-209
Structure of the alums. I. On the sulfate group disorder in the alpha-alums
Locality: synthetic
Sample: T = 296 K
_database_code_amcsd 0009915
12.2305 12.2305 12.2305 90 90 90 Pa3
atom      x      y      z  occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Tl       .5     .5     .5      .0519  .0519  .0519  .0519  .0083  .0083  .0083
Al        0      0      0      .0196  .0196  .0196  .0196 -.0002 -.0002 -.0002
S    .31138 .31138 .31138      .0259  .0259  .0259  .0259  .0037  .0037  .0037
O3    .2434  .2434  .2434 .843 .0650  .0650  .0650  .0650 -.0166 -.0166 -.0166
O3A   .3779  .3779  .3779 .157 .1300   .130   .130   .130  -.052  -.052  -.052
O4    .2676  .4232  .3157 .843 .0465  .0640  .0342  .0417  .0240  .0205  .0103
O4A   .2918  .2065   .368 .157 .0640   .067   .044   .082   .026   .052   .040
O1    .1521 .01508 -.0144      .0284  .0226  .0355  .0271 -.0034  .0007  .0021
O2   .04606 .13994 .29729      .0405  .0457  .0351  .0408  .0025 -.0076 -.0060
H11    .176   .028  -.066       .037
H12    .192   .018   .038       .040
H21   .1140  .1732   .293       .104
H22    .004  .1919  .2958       .120
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Lanmuchangite
Download hom/lanmuchangite.pdf
Nyburg S C, Steed J, Aleksovska S, Petrusevski V M
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=56&spage=204
Acta Crystallographica B56 (2000) 204-209
Structure of the alums. I. On the sulfate group disorder in the alpha-alums
Locality: synthetic
Sample: T = 173 K
_database_code_amcsd 0009916
12.2070 12.2070 12.2070 90 90 90 Pa3
atom      x      y      z  occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Tl       .5     .5     .5      .0314  .0314  .0314  .0314  .0087  .0087  .0087
Al        0      0      0      .0101  .0101  .0101  .0101 -.0001 -.0001 -.0001
S    .31104 .31104 .31104      .0135  .0135  .0135  .0135  .0025  .0025  .0025
O3    .2420  .2420  .2420 .940 .0328  .0328  .0328  .0328 -.0061 -.0061 -.0061
O3A    .377   .377   .377 .060 .0500   .050   .050   .050  -.030  -.030  -.030
O4    .2666 .42301 .31399 .940 .0261  .0372  .0198  .0213  .0164  .0112  .0057
O4A    .282   .201   .368 .060 .0100   .019   .000   .010   .008   .010   .016
O1    .1526 .01481 -.0146      .0159  .0121  .0213  .0142 -.0027  .0009  .0018
O2    .0469 .13812 .29852      .0220  .0235  .0201  .0225  .0033 -.0039 -.0012
H11    .174   .034  -.068       .033
H12    .194   .024   .042       .037
H21    .115   .159   .296       .045
H22    .005   .183   .293       .041
Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
TlGa(SO4)2*12H2O
 
Nyburg S C, Steed J, Aleksovska S, Petrusevski V M
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=56&spage=204
Acta Crystallographica B56 (2000) 204-209
Structure of the alums. I. On the sulfate group disorder in the alpha-alums
Sample: T = 296 K
_database_code_amcsd 0009917
12.2368 12.2368 12.2368 90 90 90 Pa3
atom      x      y      z  occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Tl       .5     .5     .5      .0513 .0513  .0513  .0513   .0057  .0057  .0057
Ga        0      0      0      .0199 .0199  .0199  .0199  -.0004 -.0004 -.0004
S    .31303 .31303 .31303      .0268 .0268  .0268  .0268   .0037  .0037  .0037
O3    .2453  .2453  .2453 .830 .0700 .0700  .0700  .0700  -.0208 -.0208 -.0208
O3A   .3772  .3772  .3772 .170 .1900  .190   .190   .190   -.086  -.086  -.086
O4    .2700  .4249  .3178 .830 .0478  .064  .0355  .0433    .024  .0229  .0111
O4A    .295   .212   .372 .170 .0790  .080   .057   .100    .038   .064   .062
O1    .1579  .0104 -.0124      .0311 .0235  .0425  .0274  -.0055 -.0001  .0017
O2    .0486  .1433  .2987      .0422 .0459  .0360  .0448   .0049 -.0089 -.0047
H11    .177   .026  -.056       .035
H12    .193   .022   .033       .040
H21    .123   .168   .301       .109
H22    .014   .180   .289       .032
Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
RbGa(SO4)2*12H2O
 
Nyburg S C, Steed J, Aleksovska S, Petrusevski V M
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=56&spage=204
Acta Crystallographica B56 (2000) 204-209
Structure of the alums. I. On the sulfate group disorder in the alpha-alums
Sample: T = 296 K
_database_code_amcsd 0009918
12.2679 12.2679 12.2679 90 90 90 Pa3
atom      x      y      z  occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Rb       .5     .5     .5      .0514  .0514  .0514  .0514  .0108  .0108  .0108
Ga        0      0      0      .0253  .0253  .0253  .0253 -.0004 -.0004 -.0004
S    .31299 .31299 .31299      .0305  .0305  .0305  .0305  .0037  .0037  .0037
O3    .2453  .2453  .2453 .892 .0349  .0286  .0445  .0317 -.0035  .0008  .0030
O3A    .380   .380   .380 .108 .0680   .057   .038   .110   .014   .060   .040
O4    .2701  .4245  .3178 .892 .0660  .0660  .0660  .0660 -.0149 -.0149 -.0149
O4A    .292   .211   .369 .108 .1800   .180   .180   .180  -.070  -.070  -.070
O1    .1577  .0107 -.0125      .0451  .0486  .0402  .0465  .0025 -.0053 -.0041
O2    .0479  .1425  .2988      .0507  .0640  .0422  .0458  .0213  .0185  .0088
H11    .181   .029  -.061       .062
H12    .203   .025   .048       .059
H21    .102   .165   .299       .090
H22    .013   .191   .285       .072
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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Total number of retrieved datasets: 8
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