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Painite |
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Moore P B, Araki T |
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American Mineralogist 61 (1976) 88-94 |
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Painite, CaZrB[Al9O18]: Its crystal structure and relation to jeremejevite, |
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B5[X3Al6(OH)3O15], and fluoborite, B3[Mg9(F,OH)9O9] |
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_database_code_amcsd 0000495 |
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8.715 8.715 8.472 90 90 120 P6_3 |
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atom x y z Biso |
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Zr 2/3 1/3 1/4 .57 |
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Ca 0 0 .4929 1.23 |
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Al1 .3329 .3373 .7490 .61 |
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Al2 .3425 .3625 .0791 .63 |
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Al3 .3437 .3596 .4224 .54 |
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B .3333 .6667 .2495 .84 |
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O1 .3992 .5518 .2495 .81 |
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O2 .4052 .5237 .5919 .69 |
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O3 .4060 .5235 .9070 .54 |
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O4 .3281 .2186 .2503 .69 |
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O5 .3019 .1935 .5807 .58 |
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O6 .2983 .1912 .9165 .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 (permalink) |
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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)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
| |
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