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Al4B2O9 |
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Fischer R X, Kahlenberg V, Voll D, MacKenzie K J D, Smith M E, Schnetger B, |
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Brumsack H-J, Schneider H |
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American Mineralogist 93 (2008) 918-927 |
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Crystal structure of synthetic Al4B2O9: A member of the mullite family closely |
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related to boralsilite |
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_database_code_amcsd 0004586 |
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14.8056 5.5413 15.0531 90 90.913 90 C2/m |
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atom x y z occ Biso |
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Al1 .8631 0 .3409 .43 |
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Al2 .8147 0 .1622 .43 |
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Al3 .5696 0 .0675 .43 |
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Al4 .6739 0 .3439 .43 |
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Al5 .0002 .7471 .2480 .43 |
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Al6 .25 .25 0 .43 |
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Al7 .25 .25 .5 .43 |
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B1 .1026 0 .1053 .4 |
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B2 .3789 0 .1382 .4 |
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B3 .1352 0 .3662 .4 |
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B4 .3896 0 .4005 .4 |
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O1 .7563 0 .2561 .73 |
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O2 .7979 0 .4445 .73 |
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O3 .9245 0 .2152 .73 |
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O4 .9226 .7157 .3536 .73 |
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O5' .0332 0 .4376 .5 .73 |
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O6 .3221 0 .4562 .73 |
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O7 .8261 .7183 .0993 .73 |
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O8 .6967 0 .0682 .73 |
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O9 .0663 .7711 .1310 .73 |
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O10 .4300 0 .0474 .5 .73 |
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O11 .6734 .2852 .3953 .73 |
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O12 .5766 0 .2751 .73 |
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O13 .4362 0 .1981 .73 |
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O14 .0659 0 .2919 .73 |
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O15 .8242 0 .9558 .73 |
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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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Maoniupingite-(Ce) |
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Yang Z, Fleck M, Smith M, Tao K, Song R, Zhang P |
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European Journal of Mineralogy 14 (2002) 969-975 |
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The crystal structure of natural Fe-rich chevkinite-(Ce) |
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_database_code_amcsd 0006951 |
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13.456 5.728 11.083 90 100.60 90 C2/m |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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CeA1 .35619 0 .23436 .934 .0176 .0155 .0220 .0151 0 .0024 0 |
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CaA1 .35619 0 .23436 .02 .0176 .0155 .0220 .0151 0 .0024 0 |
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CeA2 .06965 0 .23967 .909 .0212 .0118 .0394 .0126 0 .0030 0 |
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CaA2 .06965 0 .23967 .05 .0212 .0118 .0394 .0126 0 .0030 0 |
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FeB .5 0 0 .55 .0188 .0235 .0206 .0120 0 .0021 0 |
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MgB .5 0 0 .24 .0188 .0235 .0206 .0120 0 .0021 0 |
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TiB .5 0 0 .18 .0188 .0235 .0206 .0120 0 .0021 0 |
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FeC1 .25 .25 .5 .39 .0133 .0139 .0160 .0096 .0005 .0016 .0001 |
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TiC1 .25 .25 .5 .55 .0133 .0139 .0160 .0096 .0005 .0016 .0001 |
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NbC1 .25 .25 .5 .03 .0133 .0139 .0160 .0096 .0005 .0016 .0001 |
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FeC2A .5 0 .5 .27 .0145 .0150 .0158 .0123 0 .0009 0 |
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TiC2A .5 0 .5 .66 .0145 .0150 .0158 .0123 0 .0009 0 |
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NbC2A .5 0 .5 .04 .0145 .0150 .0158 .0123 0 .0009 0 |
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FeC2B 0 0 .5 .14 .0154 .0149 .0193 .0126 0 .0042 0 |
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TiC2B 0 0 .5 .80 .0154 .0149 .0193 .0126 0 .0042 0 |
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NbC2B 0 0 .5 .04 .0154 .0149 .0193 .0126 0 .0042 0 |
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Si1 .2009 -.5 .2314 .0110 .0116 .0121 .0095 0 .0023 0 |
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Si2 .3576 -.5 .0466 .0125 .0132 .0166 .0080 0 .0026 0 |
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O1 .2281 .2650 .3145 .0169 .025 .014 .011 .002 .002 .001 |
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O2 .4779 .2542 .3737 .0165 .015 .021 .015 -.003 .004 -.002 |
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O3 .4261 .2723 .0935 .0258 .032 .026 .019 .012 .001 .002 |
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O4 .1462 0 .4776 .0140 .012 .017 .014 0 .006 0 |
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OH5 .3476 0 .4896 .32 .0147 .011 .015 .017 0 .000 0 |
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O5 .3476 0 .4896 .68 .0147 .011 .015 .017 0 .000 0 |
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OH6 .0849 -.5 .1718 .32 .033 .013 .066 .020 0 -.002 0 |
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O6 .0849 -.5 .1718 .68 .033 .013 .066 .020 0 -.002 0 |
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O7 .2706 -.5 .1287 .039 .031 .068 .024 0 .019 0 |
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O8 .1868 0 .0965 .0177 .019 .022 .012 0 .002 0 |
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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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Maoniupingite-(Ce) |
| |
Yang Z, Fleck M, Smith M, Tao K, Song R, Zhang P |
| |
European Journal of Mineralogy 14 (2002) 969-975 |
|
The crystal structure of natural Fe-rich chevkinite-(Ce) |
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_database_code_amcsd 0006951 |
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13.456 5.728 11.083 90 100.60 90 C2/m |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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CeA1 .35619 0 .23436 .934 .0176 .0155 .0220 .0151 0 .0024 0 |
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CaA1 .35619 0 .23436 .02 .0176 .0155 .0220 .0151 0 .0024 0 |
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CeA2 .06965 0 .23967 .909 .0212 .0118 .0394 .0126 0 .0030 0 |
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CaA2 .06965 0 .23967 .05 .0212 .0118 .0394 .0126 0 .0030 0 |
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FeB .5 0 0 .55 .0188 .0235 .0206 .0120 0 .0021 0 |
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MgB .5 0 0 .24 .0188 .0235 .0206 .0120 0 .0021 0 |
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TiB .5 0 0 .18 .0188 .0235 .0206 .0120 0 .0021 0 |
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FeC1 .25 .25 .5 .39 .0133 .0139 .0160 .0096 .0005 .0016 .0001 |
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TiC1 .25 .25 .5 .55 .0133 .0139 .0160 .0096 .0005 .0016 .0001 |
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NbC1 .25 .25 .5 .03 .0133 .0139 .0160 .0096 .0005 .0016 .0001 |
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FeC2A .5 0 .5 .27 .0145 .0150 .0158 .0123 0 .0009 0 |
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TiC2A .5 0 .5 .66 .0145 .0150 .0158 .0123 0 .0009 0 |
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NbC2A .5 0 .5 .04 .0145 .0150 .0158 .0123 0 .0009 0 |
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FeC2B 0 0 .5 .14 .0154 .0149 .0193 .0126 0 .0042 0 |
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TiC2B 0 0 .5 .80 .0154 .0149 .0193 .0126 0 .0042 0 |
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NbC2B 0 0 .5 .04 .0154 .0149 .0193 .0126 0 .0042 0 |
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Si1 .2009 -.5 .2314 .0110 .0116 .0121 .0095 0 .0023 0 |
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Si2 .3576 -.5 .0466 .0125 .0132 .0166 .0080 0 .0026 0 |
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O1 .2281 .2650 .3145 .0169 .025 .014 .011 .002 .002 .001 |
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O2 .4779 .2542 .3737 .0165 .015 .021 .015 -.003 .004 -.002 |
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O3 .4261 .2723 .0935 .0258 .032 .026 .019 .012 .001 .002 |
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O4 .1462 0 .4776 .0140 .012 .017 .014 0 .006 0 |
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OH5 .3476 0 .4896 .32 .0147 .011 .015 .017 0 .000 0 |
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O5 .3476 0 .4896 .68 .0147 .011 .015 .017 0 .000 0 |
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OH6 .0849 -.5 .1718 .32 .033 .013 .066 .020 0 -.002 0 |
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O6 .0849 -.5 .1718 .68 .033 .013 .066 .020 0 -.002 0 |
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O7 .2706 -.5 .1287 .039 .031 .068 .024 0 .019 0 |
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O8 .1868 0 .0965 .0177 .019 .022 .012 0 .002 0 |
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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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