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Cancrinite |
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Fechtelkord M, Stief F, Buhl J-C |
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American Mineralogist 86 (2001) 165-175 |
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Sodium cation dynamics in nitrate cancrinite: A low and high temperature Na and H |
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MAS NMR study and high temperature Rietveld structure refinement |
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Sample: T = 296 K |
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_database_code_amcsd 0002623 |
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12.6666 12.6666 5.1808 90 90 120 P6_3 |
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atom x y z occ Uiso |
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Na1 1/3 2/3 .627 .99 .019 |
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Na2 .134 .2710 .286 .99 .021 |
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Si1 .082 .410 .75 .005 |
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Al1 .337 .412 .742 .005 |
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O1 .201 .403 .663 .006 |
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O2 .1163 .552 .730 .006 |
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O3 .038 .358 .044 .006 |
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O4 .323 .353 .055 .006 |
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N1 0 0 .56 .37 .01 |
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N2 0 0 .75 .50 .01 |
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ON1 .015 .908 .55 .37 .03 |
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ON2 .884 .939 .803 .50 .03 |
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OH1 .620 .33 .680 .39 .03 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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Cancrinite |
|
Fechtelkord M, Stief F, Buhl J-C |
|
American Mineralogist 86 (2001) 165-175 |
|
Sodium cation dynamics in nitrate cancrinite: A low and high temperature Na and H |
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MAS NMR study and high temperature Rietveld structure refinement |
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Sample: T = 673 K |
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_database_code_amcsd 0002624 |
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12.7261 12.7261 5.2214 90 90 120 P6_3 |
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atom x y z occ Uiso |
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Na1 1/3 2/3 .654 .93 .052 |
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Na2 .137 .2741 .287 .98 .066 |
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Si1 .080 .413 .75 .028 |
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Al1 .332 .411 .756 .028 |
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O1 .200 .406 .684 .030 |
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O2 .115 .557 .737 .030 |
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O3 .023 .349 .035 .030 |
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O4 .323 .359 .060 .030 |
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N1 0 0 .56 .41 .03 |
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N2 0 0 .78 .41 .03 |
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ON1 .980 .083 .48 .41 .07 |
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ON2 .890 .940 .71 .41 .07 |
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OH1 1/3 2/3 .68 .08 .01 |
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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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Cancrinite |
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Fechtelkord M, Posnatzki B, Buhl J-C, Fyfe C A, Groat L A, Raudsepp M |
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American Mineralogist 86 (2001) 881-888 |
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Characterization of synthetic Cs-Li cancrinite grown in a butanediol-water |
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system: An NMR spectroscopic and Rietveld refinement study |
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_database_code_amcsd 0002658 |
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12.41595 12.41595 4.97019 90 90 120 P6_3 |
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atom x y z occ Uiso |
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Cs 1/3 2/3 .2723 .0316 |
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Li .169 .3084 .246 .91 .02 |
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Al .0812 .4090 .75 .002 |
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Si .3405 .4154 .7757 .002 |
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O1 .2024 .3831 .6739 .007 |
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O2 .1311 .5663 .776 .007 |
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O3 .0491 .3720 .0926 .007 |
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O4 .3199 .3874 .1100 .007 |
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OH21 .8909 .0229 .758 .81 .045 |
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OH22 .0728 .1734 .118 .49 .045 |
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OH1 0 0 .006 .74 .018 |
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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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Cancrinite |
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Fechtelkord M, Posnatzki B, Buhl J-C |
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European Journal of Mineralogy 15 (2003) 589-598 |
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Characterization of basic cancrinite synthesized in a butanediol-water system |
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_database_code_amcsd 0007001 |
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12.7558 12.7558 5.1985 90 90 120 P6_3 |
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atom x y z occ Uiso |
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Na1 1/3 2/3 .637 .008 |
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Na2 .144 .2890 .288 .91 .032 |
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Si1 .0803 .4166 .75 .0045 |
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Al1 .3333 .4132 .753 .0045 |
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O1 .200 .4026 .687 .015 |
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O2 .1215 .560 .749 .015 |
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O3 .0452 .3666 .062 .015 |
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O4 .3328 .3562 .058 .015 |
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OH1 0 0 .112 .78 .018 |
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Wat21 .132 .106 .983 .42 .058 |
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Wat22 .095 .093 .795 .52 .058 |
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Wat23 .621 .2907 .683 .39 .021 |
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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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