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Painite |
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Armbruster T, Dobelin N, Peretti A, Gunther D, Reusser E, Grobety B |
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American Mineralogist 89 (2004) 610-613 |
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The crystal structure of painite CaZrB[Al9O18] revisited |
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Locality: Mogok |
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_database_code_amcsd 0003470 |
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8.724 8.724 8.464 90 90 120 P6_3/m |
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atom x y z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Ca 0 0 0 .77 1.148 .0059 .0059 .0318 .00295 0 0 |
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Na 0 0 0 .19 1.148 .0059 .0059 .0318 .00295 0 0 |
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Zr 2/3 1/3 .25 .94 .277 .00342 .00342 .00368 .00171 0 0 |
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Hf 2/3 1/3 .25 .01 .277 .00342 .00342 .00368 .00171 0 0 |
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V 2/3 1/3 .25 .01 .277 .00342 .00342 .00368 .00171 0 0 |
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Cr 2/3 1/3 .25 .03 .277 .00342 .00342 .00368 .00171 0 0 |
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B 1/3 -1/3 .25 .41 .0048 .0048 .0061 .0024 0 0 |
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Al1 .34290 .36082 .07794 .98 .314 .00351 .00449 .00386 .00194 .00000 .00045 |
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Ti1 .34290 .36082 .07794 .02 .314 .00351 .00449 .00386 .00194 .00000 .00045 |
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Al2 .33656 .00426 .25 .98 .344 .00400 .00418 .0042 .00151 0 0 |
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Ti2 .33656 .00426 .25 .02 .344 .00400 .00418 .0042 .00151 0 0 |
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O1 .88145 .40477 .09293 .381 .0049 .0046 .0050 .0023 .0005 .0002 |
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O2 .19303 -.10735 .08217 .405 .0047 .0047 .0050 .0016 -.0002 .0000 |
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O3 -.11034 -.32921 .25 .474 .0055 .0090 .0048 .0046 0 0 |
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O4 .44764 -.15362 .25 .452 .0050 .0039 .0077 .0019 0 0 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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Johachidolite |
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Kadiyski M, Armbruster T, Gunther D, Reusser E, Peretti A |
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European Journal of Mineralogy 20 (2008) 965-973 |
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Johachidolite, CaAl[B3O7], a mineralogical and structural peculiarity |
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Locality: Mogok district, Myanmar |
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_database_code_amcsd 0007267 |
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7.967 11.723 4.3718 90 90 90 Cmma |
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atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Ca .25 .25 0 .00801 .00840 .00811 .00752 0 .00273 0 |
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Al 0 0 0 .00419 .00491 .00432 .00333 0 0 .00016 |
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B1 .25 0 .5 .00436 .0041 .0047 .0042 0 0 0 |
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B2 0 .13658 .45836 .00479 .0054 .0046 .0043 0 0 .00001 |
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O1 0 .25 .32945 .00599 .0102 .0032 .0045 0 0 0 |
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O2 0 .13131 -.22291 .00538 .0073 .0053 .00346 0 0 .00031 |
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O3 .14664 .07316 .29975 .00471 .00406 .00546 .00460 .00092 -.00018 .00028 |
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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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