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Diaoyudaoite |
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Edstrom K, Thomas J O, Farrington G C |
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Acta Crystallographica B47 (1991) 635-643 |
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Structural aspects of the Na+ -> Cd2+ ion-exchange process in Na+ beta-alumina |
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Locality: synthetic |
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Sample: y = 0 |
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Note: anisoB's from ICSD |
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_database_code_amcsd 0009848 |
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5.5929 5.5929 22.526 90 90 120 P6_3/mmc |
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atom x y z occ Uiso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Na1 2/3 1/3 .25 .723 .1229 .1229 .00149 .06145 0 0 |
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Na2 .89702 -.89702 .25 .166 .1338 .1338 .00039 -.0400 0 0 |
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Al1 -.16798 -.33596 .10610 .963 .0049 .00412 .00349 .00022 .00175 .00001 .00001 |
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Al2 1/3 2/3 .02482 .0038 .00309 .00309 .00016 .00155 0 0 |
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Al3 1/3 2/3 .17576 .0061 .00617 .00617 .00014 .00309 0 0 |
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Al4 0 0 0 .0043 .00368 .00368 .00016 .00184 0 0 |
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Al5 -.16045 -.32090 .17523 .037 .0049 .00412 .00349 .00022 .00175 .00001 .00001 |
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O1 .15712 .31424 .04998 .0051 .00512 .00323 .00021 .00162 -.00001 -.00002 |
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O2 .50305 .49695 .14633 .0050 .00403 .00403 .00035 .00175 .00003 -.00003 |
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O3 2/3 1/3 .05525 .0052 .00475 .00475 .00017 .00238 0 0 |
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O4 0 0 .14219 .0047 .00361 .00361 .00022 .00180 0 0 |
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O5 1/3 2/3 .25 .0660 .0660 .00011 .0330 0 0 |
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O6 5/6 1/6 .25 .037 .0030 |
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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) |
  |
|
Diaoyudaoite |
 |
Edstrom K, Thomas J O, Farrington G C |
 |
Acta Crystallographica B47 (1991) 635-643 |
|
Structural aspects of the Na+ -> Cd2+ ion-exchange process in Na+ beta-alumina |
|
Locality: synthetic |
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Sample: y = .21 |
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Note: anisoB's from ICSD |
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_database_code_amcsd 0009849 |
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5.5921 5.5921 22.526 90 90 120 P6_3/mmc |
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atom x y z occ Uiso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Na1 2/3 1/3 .25 .723 .1304 .1304 .00158 .0652 0 0 |
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Na2 .89702 -.89702 .25 .095 .1338 .1338 .00039 -.0400 0 0 |
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CdB .78763 -.78763 .25 .035 .1593 .1593 .00123 -.0684 0 0 |
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Al1 -.16771 -.33542 .10643 .963 .0048 .00403 .00328 .00022 .00164 .00002 .00003 |
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Al2 1/3 2/3 .02479 .0039 .00318 .00318 .00016 .00159 0 0 |
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Al3 1/3 2/3 .17564 .0061 .00588 .00588 .00017 .00294 0 0 |
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Al4 0 0 0 .0044 .00373 .00373 .00017 .00186 0 0 |
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Al5 -.16365 -.3273 .17496 .037 .0055 .00403 .00328 .00022 .00164 .00002 .00003 |
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O1 .15730 .3146 .04999 .0049 .00494 .00310 .00020 .00155 -.00002 -.00003 |
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O2 .50311 .49689 .14640 .0059 .00393 .00393 .00033 .00152 .00005 -.00005 |
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O3 2/3 1/3 .05545 .0052 .00480 .00480 .00015 .00240 0 0 |
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O4 0 0 .14223 .0048 .00354 .00354 .00023 .00177 0 0 |
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O5 1/3 2/3 .25 .0501 .0501 .00016 .02505 0 0 |
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O6 5/6 1/6 .25 .037 .0030 |
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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) |
  |
|
Diaoyudaoite |
 |
Edstrom K, Thomas J O, Farrington G C |
 |
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 |
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Sample: y = .45 |
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_database_code_amcsd 0009850 |
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5.5906 5.5906 22.519 90 90 120 P6_3/mmc |
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atom x y z occ Uiso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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Na1 2/3 1/3 .25 .723 .1656 .1656 .00242 .0828 0 0 |
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Na2 .89702 -.89702 .25 .017 .1338 .1338 .00039 -.0400 0 0 |
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CdB .78763 -.78763 .25 .074 .4932 .4932 .00097 -.4245 0 0 |
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Al1 -.16765 -.33530 .10661 .963 .0046 .00359 .00288 .00022 .00144 0 0 |
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Al2 1/3 2/3 .02475 .0037 .00291 .00291 .00018 .00146 0 0 |
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Al3 1/3 2/3 .17577 .0060 .0054 .0054 .00022 .00270 0 0 |
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Al4 0 0 0 .0040 .00320 .00320 .00019 .00160 0 0 |
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Al5 -.16333 -.3267 .17345 .037 .0046 .00359 .00288 .00022 .00144 0 0 |
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O1 .15728 .31456 .04983 .0049 .00458 .00317 .00022 .00159 -.00002 -.00005 |
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O2 .50314 .49686 .14646 .0059 .00383 .00383 .00034 .00144 .00005 -.00005 |
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O3 2/3 1/3 .05539 .0051 .00434 .00434 .00016 .00217 0 0 |
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O4 0 0 .14212 .0045 .00337 .00337 .00023 .00168 0 0 |
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O5 1/3 2/3 .25 .0468 .0468 .00022 .0234 0 0 |
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O6 5/6 1/6 .25 .037 .0030 |
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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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Diaoyudaoite |
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Beevers C, Ross M |
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Zeitschrift fur Kristallographie 97 (1937) 59-66 |
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The crystal structure of beta alumina Na2O(Al2O3)11 |
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_cod_database_code 1010017 |
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_database_code_amcsd 0016956 |
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5.584 5.584 22.45 90 90 120 P6_3/mmc |
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atom x y z |
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Na1 2/3 1/3 .25 |
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Al1 0 0 0 |
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Al2 1/3 2/3 .022 |
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Al3 1/3 1/6 .106 |
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Al4 1/3 2/3 .178 |
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O1 1/6 1/3 .05 |
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O2 2/3 1/3 .05 |
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O3 0 0 .144 |
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O4 .5 .5 .144 |
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O5 1/3 2/3 .25 |
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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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Diaoyudaoite |
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Felsche J |
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Zeitschrift fur Kristallographie 127 (1968) 94-100 |
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The alkali problem in the crystal structure of beta alumina |
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_database_code_amcsd 0010660 |
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5.5962 5.5962 22.526 90 90 120 P6_3/mmc |
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atom x y z Biso |
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Al1 .1665 .3331 .6060 .46 |
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Al2 1/3 2/3 .0248 .38 |
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Al3 1/3 2/3 .1753 .38 |
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Al4 0 0 0 .42 |
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Na 2/3 1/3 .25 1.86 |
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O1 .1624 .3249 .0496 .69 |
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O2 .5016 .0032 .1464 .39 |
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O3 1/3 2/3 .5540 .36 |
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O4 0 0 .1421 .43 |
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O5 1/3 2/3 .25 .96 |
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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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Diaoyudaoite |
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Felsche J |
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Naturwissenschaften 54 (1967) 612-613 |
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Zur kristallstruktur von beta-aluminiumoxid |
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Note: x,y coordinates of O3 altered to produce a more reasonable structure |
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Locality: synthetic |
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_database_code_amcsd 0014697 |
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5.5962 5.5962 22.526 90 90 120 P6_3/mmc |
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atom x y z |
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Na 2/3 1/3 .25 |
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Al1 1/6 1/3 .60601 |
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Al2 1/3 2/3 .0248 |
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Al3 1/3 2/3 .1758 |
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Al4 0 0 0 |
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O1 1/6 1/3 .0495 |
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O2 .5 0 .1463 |
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O3 1/3 2/3 .5540 |
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O4 0 0 .1421 |
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O5 1/3 2/3 .25 |
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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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