Maya Blue Chiari G, Giustetto R, Ricchiardi G European Journal of Mineralogy 15 (2003) 21-33 Crystal structure refinements of palygorskite and Maya Blue from molecular modeling and powder synchrotron diffraction Sample: OP (3 cells+indigo) _database_code_amcsd 0006958 12.709 17.896 15.775 90 90 90 Pbmn atom x y z occ Si1 .223 .915 .601 Si1' .723 .585 .733 Si1'' .223 .915 .934 Si2 .218 .835 .437 Si2' .718 .665 .896 Si2'' .218 .835 .771 Mg2 0 .919 .5 Mg2' 0 .919 5/6 Mg3 0 .842 0 Mg3' 0 .842 2/3 OH .926 0 .218 OH' .926 0 .552 OH'' .926 0 .886 O1 .095 .912 .595 O1' .595 .588 .739 O1'' .095 .912 .928 O2 .092 .849 .441 O2' .592 .651 .892 O2'' .092 .849 .775 Wat1 .399 .752 .29 Wat1' .399 .752 .625 Wat1'' .399 .752 .956 O3 .75 0 .392 O3' .75 0 0 O3'' .25 .5 .941 O4 .25 .75 .439 O4' .75 .75 .894 O4'' .25 .75 .773 O5 .265 .875 .519 O5' .765 .626 .815 O5'' .265 .875 .852 O6 .254 .87 .35 O6' .754 .63 .984 O6'' .254 .87 .683 WatZ1 .5 .8703 .5 .66 WatZ1' .5 .8703 5/6 .66 WatZ2 .5 .9435 0 .66 WatZ2' .5 .9435 2/3 .66 C1 .004 .5 .4546 .34 C2 .0088 .5747 .4009 .17 C3 .0165 .5436 .3131 .34 C4 .0235 .5806 .2336 .34 C5 .03 .5375 .16 .34 N1 .0087 .4367 .401 .17 Oin .0069 .6413 .4214 .17