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Kalicinite |
 |
Thomas J O, Tellgren R, Olovsson I |
 |
Acta Crystallographica B30 (1974) 1155-1166 |
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Hydrogen-bond studies. LXXXIV. An X-ray diffraction study |
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of the structures of KHCO3 and KDCO3 at 298, 219 and 95 K |
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Locality: Synthetic |
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Note: T = 298 K |
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_database_code_amcsd 0018502 |
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15.1725 5.6283 3.7110 90 104.631 90 P2_1/a |
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atom x y z |
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K .16533 .02177 .29533 |
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H .011 .682 -.465 |
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C .11967 .51500 -.14363 |
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O(1) .19329 .52915 .09482 |
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O(2) .08221 .31998 -.27353 |
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O(3) .07761 .71772 -.27448 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Kalicinite |
|
Thomas J O, Tellgren R, Olovsson I |
|
Acta Crystallographica B30 (1974) 1155-1166 |
|
Hydrogen-bond studies. LXXXIV. An X-ray diffraction study |
|
of the structures of KHCO3 and KDCO3 at 298, 219 and 95 K |
|
Locality: Synthetic |
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Note: T = 219 K |
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_database_code_amcsd 0018503 |
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15.1538 5.6186 3.6868 90 104.356 90 P2_1/a |
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atom x y z |
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K .16561 .03227 .29500 |
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H .016 .694 -.451 |
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C .11977 .52253 -.14404 |
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O(1) .19336 .54280 .09426 |
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O(2) .08305 .32869 -.27406 |
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O(3) .07657 .72763 -.27523 |
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|
| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Kalicinite |
|
Thomas J O, Tellgren R, Olovsson I |
|
Acta Crystallographica B30 (1974) 1155-1166 |
|
Hydrogen-bond studies. LXXXIV. An X-ray diffraction study |
|
of the structures of KHCO3 and KDCO3 at 298, 219 and 95 K |
|
Locality: Synthetic |
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Note: T = 95 K |
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Note z-coordinate of O3 has been modified with a negative sign |
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_database_code_amcsd 0018504 |
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15.1150 5.6044 3.6609 90 103.980 90 P2_1/a |
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atom x y z |
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K .16595 .03487 .29497 |
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H .025 .704 -.437 |
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C .11972 .52447 -.14471 |
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O(1) .19339 .54594 .09602 |
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O(2) .08305 .32975 -.27538 |
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O(3) .07652 .73126 -.27632 |
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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
|
| |
|
Kalicinite |
|
Thomas J O, Tellgren R, Olovsson I |
|
Acta Crystallographica B30 (1974) 1155-1166 |
|
Hydrogen-bond studies. LXXXIV. An X-ray diffraction study |
|
of the structures of KHCO3 and KDCO3 at 298, 219 and 95 K |
|
Locality: Synthetic |
|
Note: T = 298 K |
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_database_code_amcsd 0018505 |
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15.1948 5.6307 3.7107 90 104.567 90 P2_1/a |
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atom x y z |
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K .16540 .02850 .29583 |
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D .021 .691 -.449 |
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C .12005 .51990 -.14296 |
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O(1) .19350 .53839 .09399 |
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O(2) .08330 .32577 -.27233 |
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O(3) .07721 .72337 -.27330 |
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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
|
| |
|
Kalicinite |
|
Thomas J O, Tellgren R, Olovsson I |
|
Acta Crystallographica B30 (1974) 1155-1166 |
|
Hydrogen-bond studies. LXXXIV. An X-ray diffraction study |
|
of the structures of KHCO3 and KDCO3 at 298, 219 and 95 K |
|
Locality: Synthetic |
|
Note: T = 219 K |
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_database_code_amcsd 0018506 |
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15.1700 5.6183 3.6885 90 104.297 90 P2_1/a |
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atom x y z |
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K .16564 .03511 .29554 |
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D .021 .691 -.436 |
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C .11998 .52409 -.14324 |
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O(1) .19366 .54640 .09394 |
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O(2) .08384 .33107 -.27292 |
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O(3) .07660 .72990 -.27377 |
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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
|
| |
|
Kalicinite |
|
Thomas J O, Tellgren R, Olovsson I |
|
Acta Crystallographica B30 (1974) 1155-1166 |
|
Hydrogen-bond studies. LXXXIV. An X-ray diffraction study |
|
of the structures of KHCO3 and KDCO3 at 298, 219 and 95 K |
|
Locality: Synthetic |
|
Note: T = 95 K |
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_database_code_amcsd 0018507 |
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15.1311 5.6054 3.6644 90 103.953 90 P2_1/a |
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atom x y z |
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K .16597 .03652 .29521 |
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D .020 .698 -.440 |
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C .11996 .52529 -.14310 |
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O(1) .19359 .54843 .09574 |
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O(2) .08350 .33109 -.27406 |
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O(3) .07649 .73230 -.27458 |
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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
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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)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
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
|
| |
|
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 |
|
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
|
| |
|
Cd.61Al11O17.11 |
| |
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 |
|
Note: anisoB's from ICSD |
|
Sample: y = 1.22 |
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_database_code_amcsd 0009851 |
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5.5869 5.5869 22.370 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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CdC .86044 .1396 .25 .129 .0527 .0527 .00084 .0317 0 0 |
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CdD .83617 .1638 .26124 .023 .0297 .0297 .00054 -.0073 0 0 |
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CdE .73583 .3320 .25 .011 .0661 .0661 .00030 .00849 0 0 |
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CdF .79815 .2926 .25 .004 .0370 .0370 .00136 -.0063 0 0 |
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Al1 -.16795 -.33590 .10711 .963 .0055 .00522 .00522 .00018 .00261 0 0 |
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Al2 1/3 2/3 .02501 .0041 .00437 .00437 .00020 .00219 0 0 |
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Al3 1/3 2/3 .17632 .0075 .00442 .00363 .00026 .00181 -.00002 -.00005 |
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Al4 0 0 0 .0044 .0529 .0529 .00015 .0217 0 0 |
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Al5 -.16019 -.32038 .17540 .037 .0055 .00550 .00339 .00022 .00169 -.00001 -.00001 |
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O1 .15714 .31428 .05028 .0053 .00442 .00363 .00026 .00181 -.00002 -.00005 |
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O2 .50234 .49766 .14684 .0071 .00341 .00341 .00018 .00171 0 0 |
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O3 2/3 1/3 .05578 .0055 .00689 .00689 .00015 .00345 0 0 |
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O4 0 0 .14368 .0049 .00397 .00397 .00016 .00198 0 0 |
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O5 .277736 -.277736 .25 1/3 .00463 .00463 .00042 .00196 .00001 -.00001 |
|
O6 5/6 1/6 .25 .037 .0030 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
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