American Mineralogist Crystal Structure Database

4 matching records for this search.

Diaoyudaoite
Download hom/diaoyudaoite.pdf
Edstrom K, Thomas J O, Farrington G C
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=47&spage=635
Acta Crystallographica B47 (1991) 635-643
Structural aspects of the Na+ -> Cd2+ ion-exchange process in Na+ beta-alumina
Locality: synthetic
Sample: y = 0
Note: anisoB's from ICSD
_database_code_amcsd 0009848
5.5929 5.5929 22.526 90 90 120 P6_3/mmc
atom       x       y      z  occ  Uiso B(1,1) B(2,2) B(3,3) B(1,2)  B(1,3)  B(2,3)
Na1      2/3     1/3    .25 .723        .1229  .1229 .00149 .06145       0       0
Na2   .89702 -.89702    .25 .166        .1338  .1338 .00039 -.0400       0       0
Al1  -.16798 -.33596 .10610 .963 .0049 .00412 .00349 .00022 .00175  .00001  .00001
Al2      1/3     2/3 .02482      .0038 .00309 .00309 .00016 .00155       0       0
Al3      1/3     2/3 .17576      .0061 .00617 .00617 .00014 .00309       0       0
Al4        0       0      0      .0043 .00368 .00368 .00016 .00184       0       0
Al5  -.16045 -.32090 .17523 .037 .0049 .00412 .00349 .00022 .00175  .00001  .00001
O1    .15712  .31424 .04998      .0051 .00512 .00323 .00021 .00162 -.00001 -.00002
O2    .50305  .49695 .14633      .0050 .00403 .00403 .00035 .00175  .00003 -.00003
O3       2/3     1/3 .05525      .0052 .00475 .00475 .00017 .00238       0       0
O4         0       0 .14219      .0047 .00361 .00361 .00022 .00180       0       0
O5       1/3     2/3    .25             .0660  .0660 .00011  .0330       0       0
O6       5/6     1/6    .25 .037 .0030
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Diaoyudaoite
Download hom/diaoyudaoite.pdf
Edstrom K, Thomas J O, Farrington G C
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=47&spage=635
Acta Crystallographica B47 (1991) 635-643
Structural aspects of the Na+ -> Cd2+ ion-exchange process in Na+ beta-alumina
Locality: synthetic
Sample: y = .21
Note: anisoB's from ICSD
_database_code_amcsd 0009849
5.5921 5.5921 22.526 90 90 120 P6_3/mmc
atom       x       y      z  occ  Uiso B(1,1) B(2,2) B(3,3) B(1,2)  B(1,3)  B(2,3)
Na1      2/3     1/3    .25 .723        .1304  .1304 .00158  .0652       0       0
Na2   .89702 -.89702    .25 .095        .1338  .1338 .00039 -.0400       0       0
CdB   .78763 -.78763    .25 .035        .1593  .1593 .00123 -.0684       0       0
Al1  -.16771 -.33542 .10643 .963 .0048 .00403 .00328 .00022 .00164  .00002  .00003
Al2      1/3     2/3 .02479      .0039 .00318 .00318 .00016 .00159       0       0
Al3      1/3     2/3 .17564      .0061 .00588 .00588 .00017 .00294       0       0
Al4        0       0      0      .0044 .00373 .00373 .00017 .00186       0       0
Al5  -.16365  -.3273 .17496 .037 .0055 .00403 .00328 .00022 .00164  .00002  .00003
O1    .15730   .3146 .04999      .0049 .00494 .00310 .00020 .00155 -.00002 -.00003
O2    .50311  .49689 .14640      .0059 .00393 .00393 .00033 .00152  .00005 -.00005
O3       2/3     1/3 .05545      .0052 .00480 .00480 .00015 .00240       0       0
O4         0       0 .14223      .0048 .00354 .00354 .00023 .00177       0       0
O5       1/3     2/3    .25             .0501  .0501 .00016 .02505       0       0
O6       5/6     1/6    .25 .037 .0030
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
Diaoyudaoite
Download hom/diaoyudaoite.pdf
Edstrom K, Thomas J O, Farrington G C
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=47&spage=635
Acta Crystallographica B47 (1991) 635-643
Structural aspects of the Na+ -> Cd2+ ion-exchange process in Na+ beta-alumina
Locality: synthetic
Note: anisoB's from ICSD
Sample: y = .45
_database_code_amcsd 0009850
5.5906 5.5906 22.519 90 90 120 P6_3/mmc
atom       x       y      z  occ  Uiso B(1,1) B(2,2) B(3,3) B(1,2)  B(1,3)  B(2,3)
Na1      2/3     1/3    .25 .723        .1656  .1656 .00242  .0828       0       0
Na2   .89702 -.89702    .25 .017        .1338  .1338 .00039 -.0400       0       0
CdB   .78763 -.78763    .25 .074        .4932  .4932 .00097 -.4245       0       0
Al1  -.16765 -.33530 .10661 .963 .0046 .00359 .00288 .00022 .00144       0       0
Al2      1/3     2/3 .02475      .0037 .00291 .00291 .00018 .00146       0       0
Al3      1/3     2/3 .17577      .0060  .0054  .0054 .00022 .00270       0       0
Al4        0       0      0      .0040 .00320 .00320 .00019 .00160       0       0
Al5  -.16333  -.3267 .17345 .037 .0046 .00359 .00288 .00022 .00144       0       0
O1    .15728  .31456 .04983      .0049 .00458 .00317 .00022 .00159 -.00002 -.00005
O2    .50314  .49686 .14646      .0059 .00383 .00383 .00034 .00144  .00005 -.00005
O3       2/3     1/3 .05539      .0051 .00434 .00434 .00016 .00217       0       0
O4         0       0 .14212      .0045 .00337 .00337 .00023 .00168       0       0
O5       1/3     2/3    .25             .0468  .0468 .00022  .0234       0       0
O6       5/6     1/6    .25 .037 .0030
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
Cd.61Al11O17.11
 
Edstrom K, Thomas J O, Farrington G C
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=47&spage=635
Acta Crystallographica B47 (1991) 635-643
Structural aspects of the Na+ -> Cd2+ ion-exchange process in Na+ beta-alumina
Note: anisoB's from ICSD
Sample: y = 1.22
_database_code_amcsd 0009851
5.5869 5.5869 22.370 90 90 120 P6_3/mmc
atom       x        y      z  occ  Uiso B(1,1) B(2,2) B(3,3) B(1,2)  B(1,3)  B(2,3)
CdC   .86044    .1396    .25 .129        .0527  .0527 .00084  .0317       0       0
CdD   .83617    .1638 .26124 .023        .0297  .0297 .00054 -.0073       0       0
CdE   .73583    .3320    .25 .011        .0661  .0661 .00030 .00849       0       0
CdF   .79815    .2926    .25 .004        .0370  .0370 .00136 -.0063       0       0
Al1  -.16795  -.33590 .10711 .963 .0055 .00522 .00522 .00018 .00261       0       0
Al2      1/3      2/3 .02501      .0041 .00437 .00437 .00020 .00219       0       0
Al3      1/3      2/3 .17632      .0075 .00442 .00363 .00026 .00181 -.00002 -.00005
Al4        0        0      0      .0044  .0529  .0529 .00015  .0217       0       0
Al5  -.16019  -.32038 .17540 .037 .0055 .00550 .00339 .00022 .00169 -.00001 -.00001
O1    .15714   .31428 .05028      .0053 .00442 .00363 .00026 .00181 -.00002 -.00005
O2    .50234   .49766 .14684      .0071 .00341 .00341 .00018 .00171       0       0
O3       2/3      1/3 .05578      .0055 .00689 .00689 .00015 .00345       0       0
O4         0        0 .14368      .0049 .00397 .00397 .00016 .00198       0       0
O5   .277736 -.277736    .25  1/3       .00463 .00463 .00042 .00196  .00001 -.00001
O6       5/6      1/6    .25 .037 .0030
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Total number of retrieved datasets: 4
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