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Mullite |
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Popovic J, Tkalcec E, Grzeta B, Kurajica S, Schmauch J |
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American Mineralogist 92 (2007) 408-411 |
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Cobalt incorporation in mullite |
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Sample: MU0 |
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_database_code_amcsd 0004280 |
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7.5520 7.6872 2.8843 90 90 90 Pbam |
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atom x y z occ Biso |
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AlM1 0 0 0 .19 |
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AlT .1493 .3406 .5 .50 .36 |
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SiT .1493 .3406 .5 .36 .36 |
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AlT' .264 .204 .5 .14 .43 |
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Oab .3583 .4219 .5 .24 |
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Od .1273 .2201 0 .45 |
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Oc .5 0 .5 .58 1.12 |
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Oc' .452 .044 .5 .14 1.28 |
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Mullite |
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Popovic J, Tkalcec E, Grzeta B, Kurajica S, Schmauch J |
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American Mineralogist 92 (2007) 408-411 |
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Cobalt incorporation in mullite |
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Sample: MU1 |
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_database_code_amcsd 0004281 |
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7.5618 7.6882 2.8860 90 90 90 Pbam |
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atom x y z occ Biso |
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AlM1 0 0 0 .985 .29 |
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CoM1 0 0 0 .015 .29 |
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AlT .1497 .3398 .5 .4925 .42 |
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SiT .1497 .3398 .5 .3675 .42 |
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AlT' .264 .203 .5 .14 .41 |
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Oab .3581 .4216 .5 .22 |
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Od .1289 .2202 0 .40 |
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Oc .5 0 .5 .58 .85 |
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Oc' .447 .056 .5 .14 1.08 |
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Gahnite |
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Popovic J, Tkalcec E, Grzeta B, Kurajica S, Rakvin B |
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American Mineralogist 94 (2009) 771-776 |
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Inverse spinel structure of Co-doped gahnite |
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Note: Sample S0, inversion parameter = 0, ZnAl2O4 |
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_database_code_amcsd 0004939 |
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8.0854 8.0854 8.0854 90 90 90 *Fd3m |
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.125 .125 .125 |
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atom x y z Biso |
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ZnT .125 .125 .125 .97 |
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AlM .5 .5 .5 .29 |
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O .2644 .2644 .2644 .53 |
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View JMOL 3-D Structure
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Gahnite |
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Popovic J, Tkalcec E, Grzeta B, Kurajica S, Rakvin B |
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American Mineralogist 94 (2009) 771-776 |
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Inverse spinel structure of Co-doped gahnite |
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Note: Sample S1, inversion parameter = .037, (Zn.96Co.04)Al2O4 |
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_database_code_amcsd 0004940 |
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8.0863 8.0863 8.0863 90 90 90 *Fd3m |
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.125 .125 .125 |
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atom x y z occ Biso |
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ZnT .125 .125 .125 .96 .90 |
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CoT .125 .125 .125 .003 .90 |
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AlT .125 .125 .125 .037 .90 |
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AlM .5 .5 .5 .9815 .45 |
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CoM .5 .5 .5 .0185 .45 |
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O .2640 .2640 .2640 .48 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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Gahnite |
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Popovic J, Tkalcec E, Grzeta B, Kurajica S, Rakvin B |
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American Mineralogist 94 (2009) 771-776 |
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Inverse spinel structure of Co-doped gahnite |
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Note: Sample S2, inversion parameter = .051, (Zn.92Co.08)Al2O4 |
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_database_code_amcsd 0004941 |
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8.0883 8.0883 8.0883 90 90 90 *Fd3m |
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.125 .125 .125 |
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atom x y z occ Biso |
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ZnT .125 .125 .125 .92 .90 |
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CoT .125 .125 .125 .029 .90 |
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AlT .125 .125 .125 .051 .90 |
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AlM .5 .5 .5 .9745 .47 |
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CoM .5 .5 .5 .0255 .47 |
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O .2636 .2636 .2636 .51 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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Gahnite |
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Popovic J, Tkalcec E, Grzeta B, Kurajica S, Rakvin B |
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American Mineralogist 94 (2009) 771-776 |
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Inverse spinel structure of Co-doped gahnite |
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Note: Sample S3, inversion parameter = .054, (Zn.88Co.12)Al2O4 |
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_database_code_amcsd 0004942 |
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8.0897 8.0897 8.0897 90 90 90 *Fd3m |
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.125 .125 .125 |
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atom x y z occ Biso |
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ZnT .125 .125 .125 .88 .90 |
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CoT .125 .125 .125 .065 .90 |
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AlT .125 .125 .125 .055 .90 |
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AlM .5 .5 .5 .9725 .44 |
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CoM .5 .5 .5 .0275 .44 |
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O .2634 .2634 .2634 .43 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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Gahnite |
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Popovic J, Tkalcec E, Grzeta B, Kurajica S, Rakvin B |
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American Mineralogist 94 (2009) 771-776 |
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Inverse spinel structure of Co-doped gahnite |
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Note: Sample S4, inversion parameter = .070, (Zn.75Co.25)Al2O4 |
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_database_code_amcsd 0004943 |
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8.0914 8.0914 8.0914 90 90 90 *Fd3m |
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.125 .125 .125 |
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atom x y z occ Biso |
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ZnT .125 .125 .125 .75 1.06 |
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CoT .125 .125 .125 .18 1.06 |
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AlT .125 .125 .125 .07 1.06 |
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AlM .5 .5 .5 .965 .48 |
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CoM .5 .5 .5 .035 .48 |
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O .2631 .2631 .2631 .55 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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Gahnite |
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Popovic J, Tkalcec E, Grzeta B, Kurajica S, Rakvin B |
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American Mineralogist 94 (2009) 771-776 |
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Inverse spinel structure of Co-doped gahnite |
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Note: Sample S6, inversion parameter = .095, (Zn.5Co.5)Al2O4 |
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_database_code_amcsd 0004944 |
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8.0928 8.0928 8.0928 90 90 90 *Fd3m |
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.125 .125 .125 |
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atom x y z occ Biso |
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ZnT .125 .125 .125 .5 .94 |
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CoT .125 .125 .125 .405 .94 |
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AlT .125 .125 .125 .095 .94 |
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AlM .5 .5 .5 .9525 .64 |
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CoM .5 .5 .5 .0475 .64 |
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O .2629 .2629 .2629 .63 |
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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
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(Zn.25Co.75)Al2O4 |
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Popovic J, Tkalcec E, Grzeta B, Kurajica S, Rakvin B |
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American Mineralogist 94 (2009) 771-776 |
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Inverse spinel structure of Co-doped gahnite |
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Note: Sample S8, inversion parameter = .150, (Zn.25Co.75)Al2O4 |
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_database_code_amcsd 0004945 |
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8.0945 8.0945 8.0945 90 90 90 *Fd3m |
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.125 .125 .125 |
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atom x y z occ Biso |
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ZnT .125 .125 .125 .25 .58 |
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CoT .125 .125 .125 .60 .58 |
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AlT .125 .125 .125 .15 .58 |
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AlM .5 .5 .5 .925 .68 |
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CoM .5 .5 .5 .075 .68 |
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O .2625 .2625 .2625 .67 |
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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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CoAl2O4 |
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Popovic J, Tkalcec E, Grzeta B, Kurajica S, Rakvin B |
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American Mineralogist 94 (2009) 771-776 |
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Inverse spinel structure of Co-doped gahnite |
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Note: Sample S10, inversion parameter = .248, CoAl2O4 |
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_database_code_amcsd 0004946 |
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8.1005 8.1005 8.1005 90 90 90 *Fd3m |
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.125 .125 .125 |
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atom x y z occ Biso |
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CoT .125 .125 .125 .752 .97 |
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AlT .125 .125 .125 .248 .97 |
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AlM .5 .5 .5 .876 .37 |
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CoM .5 .5 .5 .124 .37 |
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O .2613 .2613 .2613 .72 |
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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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