Painite Armbruster T, Dobelin N, Peretti A, Gunther D, Reusser E, Grobety B American Mineralogist 89 (2004) 610-613 The crystal structure of painite CaZrB[Al9O18] revisited Locality: Mogok _database_code_amcsd 0003470 8.724 8.724 8.464 90 90 120 P6_3/m atom x y z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) Ca 0 0 0 .77 1.148 .0059 .0059 .0318 .00295 0 0 Na 0 0 0 .19 1.148 .0059 .0059 .0318 .00295 0 0 Zr 2/3 1/3 .25 .94 .277 .00342 .00342 .00368 .00171 0 0 Hf 2/3 1/3 .25 .01 .277 .00342 .00342 .00368 .00171 0 0 V 2/3 1/3 .25 .01 .277 .00342 .00342 .00368 .00171 0 0 Cr 2/3 1/3 .25 .03 .277 .00342 .00342 .00368 .00171 0 0 B 1/3 -1/3 .25 .41 .0048 .0048 .0061 .0024 0 0 Al1 .34290 .36082 .07794 .98 .314 .00351 .00449 .00386 .00194 .00000 .00045 Ti1 .34290 .36082 .07794 .02 .314 .00351 .00449 .00386 .00194 .00000 .00045 Al2 .33656 .00426 .25 .98 .344 .00400 .00418 .0042 .00151 0 0 Ti2 .33656 .00426 .25 .02 .344 .00400 .00418 .0042 .00151 0 0 O1 .88145 .40477 .09293 .381 .0049 .0046 .0050 .0023 .0005 .0002 O2 .19303 -.10735 .08217 .405 .0047 .0047 .0050 .0016 -.0002 .0000 O3 -.11034 -.32921 .25 .474 .0055 .0090 .0048 .0046 0 0 O4 .44764 -.15362 .25 .452 .0050 .0039 .0077 .0019 0 0