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Warwickite |
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Moore P B, Araki T |
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American Mineralogist 59 (1974) 985-1004 |
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Pinakiolite, Mg2MnO2[BO3]; warwickite, Mg(Mg0.5Ti0.5)O[BO3]; wightmanite, |
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Mg5(O)(OH)5[BO3].nH2O: Crystal chemistry of complex 3 Angstrom wallpaper |
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structures |
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9.197 9.358 3.085 90 90 90 Pnam |
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atom x y z occ Biso |
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Mg1 .1149 .5695 .25 .62 .72 |
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Ti1 .1149 .5695 .25 .38 .72 |
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Mg2 .1032 .1899 .25 .96 .44 |
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Ti2 .1032 .1899 .25 .04 .44 |
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B .1673 .8753 .25 .66 |
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O1 .0206 .8653 .25 1.07 |
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O2 .2488 .7507 .25 1.01 |
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O3 .2353 .0074 .25 .84 |
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O4 .0118 .3842 .25 .87 |
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Warwickite |
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Bigi S, Brigatti M F, Capedri S |
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American Mineralogist 76 (1991) 1380-1388 |
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Crystal chemistry of Fe- and Cr-rich warwickite |
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sample S1 |
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9.246 3.0927 9.384 90 90 90 Pnma |
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atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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B .1678 .25 .8741 .0022 .0235 .0029 0 .0002 0 |
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Fe1 .11564 .25 .56885 .85 .0034 .0267 .0030 0 -.0002 0 |
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Cr1 .11564 .25 .56885 .02 .0034 .0267 .0030 0 -.0002 0 |
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Ti1 .11564 .25 .56885 .04 .0034 .0267 .0030 0 -.0002 0 |
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Al1 .11564 .25 .56885 .02 .0034 .0267 .0030 0 -.0002 0 |
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Mg1 .11564 .25 .56885 .07 .0034 .0267 .0030 0 -.0002 0 |
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Mg2 .10278 .25 .18992 .0033 .0306 .0037 0 .0001 0 |
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O1 .0212 .25 .8648 .0027 .0267 .0032 0 -.0003 0 |
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O2 .2469 .25 .7465 .0032 .0240 .0036 0 .0002 0 |
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O3 .2387 .25 .0064 .0028 .0327 .0027 0 .0001 0 |
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O4 .0091 .25 .3870 .0026 .0308 .0026 0 .0001 0 |
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Warwickite |
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Bigi S, Brigatti M F, Capedri S |
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American Mineralogist 76 (1991) 1380-1388 |
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Crystal chemistry of Fe- and Cr-rich warwickite |
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sample S2 |
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9.226 3.0860 9.369 90 90 90 Pnma |
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atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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B .1658 .25 .8752 .0068 .0420 .0017 0 .0006 0 |
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Al1 .11569 .25 .56890 .01 .0046 .0273 .0034 0 -.0002 0 |
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Cr1 .11569 .25 .56890 .23 .0046 .0273 .0034 0 -.0002 0 |
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Fe1 .11569 .25 .56890 .50 .0046 .0273 .0034 0 -.0002 0 |
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Ti1 .11569 .25 .56890 .12 .0046 .0273 .0034 0 -.0002 0 |
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Mg1 .11569 .25 .56890 .14 .0046 .0273 .0034 0 -.0002 0 |
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Mg2 .10218 .25 .19020 .0041 .0268 .0030 0 .0002 0 |
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O1 .0202 .25 .8680 .0043 .0394 .0034 0 -.0010 0 |
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O2 .2463 .25 .7469 .0040 .0341 .0034 0 .0006 0 |
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O3 .2386 .25 .0057 .0041 .0473 .0023 0 -.0010 0 |
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O4 .0098 .25 .3841 .0042 .0331 .0026 0 .0001 0 |
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Warwickite |
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Bigi S, Brigatti M F, Capedri S |
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American Mineralogist 76 (1991) 1380-1388 |
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Crystal chemistry of Fe- and Cr-rich warwickite |
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sample S3 |
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9.230 3.0906 9.378 90 90 90 Pnma |
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atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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B .1374 .25 .8750 .0056 .0236 .0031 0 .0003 0 |
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Al1 .11567 .25 .56875 .04 .0049 .0173 .0037 0 -.0007 0 |
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Cr1 .11567 .25 .56875 .18 .0049 .0173 .0037 0 -.0007 0 |
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Fe1 .11567 .25 .56875 .51 .0049 .0173 .0037 0 -.0007 0 |
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Ti1 .11567 .25 .56875 .12 .0049 .0173 .0037 0 -.0007 0 |
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Mg1 .11567 .25 .56875 .15 .0049 .0173 .0037 0 -.0007 0 |
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Mg2 .10266 .25 .19032 .0042 .0157 .0039 0 .0000 0 |
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O1 .0208 .25 .8674 .0046 .0325 .0041 0 -.0007 0 |
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O2 .2465 .25 .7471 .0048 .0340 .0033 0 .0007 0 |
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O3 .2376 .25 .0054 .0048 .0291 .0032 0 -.0011 0 |
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O4 .0101 .25 .3835 .0053 .0243 .0037 0 .0004 0 |
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View JMOL 3-D Structure
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Warwickite |
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Bigi S, Brigatti M F, Capedri S |
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American Mineralogist 76 (1991) 1380-1388 |
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Crystal chemistry of Fe- and Cr-rich warwickite |
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sample S4 |
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9.228 3.0840 9.371 90 90 90 Pnma |
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atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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B .1672 .25 .8748 .0056 .0499 .0020 0 .0003 0 |
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Al1 .11556 .25 .56885 .02 .0034 .0302 .0033 0 -.0002 0 |
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Cr1 .11556 .25 .56885 .17 .0034 .0302 .0033 0 -.0002 0 |
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Fe1 .11556 .25 .56885 .47 .0034 .0302 .0033 0 -.0002 0 |
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Ti1 .11556 .25 .56885 .16 .0034 .0302 .0033 0 -.0002 0 |
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Mg1 .11556 .25 .56885 .18 .0034 .0302 .0033 0 -.0002 0 |
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Mg2 .10245 .25 .19035 .0030 .0239 .0036 0 -.0002 0 |
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O1 .0203 .25 .8669 .0033 .0494 .0032 0 -.0004 0 |
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O2 .2468 .25 .7475 .0041 .0526 .0023 0 .0006 0 |
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O3 .2388 .25 .0053 .0042 .0499 .0028 0 -.0008 0 |
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O4 .0090 .25 .3842 .0036 .0368 .0033 0 .0005 0 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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Warwickite |
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Bigi S, Brigatti M F, Capedri S |
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American Mineralogist 76 (1991) 1380-1388 |
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Crystal chemistry of Fe- and Cr-rich warwickite |
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sample S5 |
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9.246 3.0993 9.378 90 90 90 Pnma |
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atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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B .1673 .25 .8755 .0005 .0156 .0020 0 -.0003 0 |
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Cr1 .11495 .25 .56951 .04 .0016 .0125 .0015 0 -.0002 0 |
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Fe1 .11495 .25 .56951 .65 .0016 .0125 .0015 0 -.0002 0 |
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Ti1 .11495 .25 .56951 .15 .0016 .0125 .0015 0 -.0002 0 |
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Mg1 .11495 .25 .56951 .16 .0016 .0125 .0015 0 -.0002 0 |
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Mg2 .10218 .25 .19058 .0010 .0112 .0013 0 -.0001 0 |
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O1 .0209 .25 .8676 .0013 .0156 .0020 0 -.0003 0 |
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O2 .2467 .25 .7481 .0016 .0200 .0021 0 -.0009 0 |
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O3 .2371 .25 .0050 .0016 .0286 .0018 0 -.0003 0 |
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O4 .0101 .25 .3834 .0018 .0216 .0015 0 -.0003 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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| |
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Warwickite |
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Bigi S, Brigatti M F, Capedri S |
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American Mineralogist 76 (1991) 1380-1388 |
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Crystal chemistry of Fe- and Cr-rich warwickite |
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sample S6 |
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9.242 3.098 9.383 90 90 90 Pnma |
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atom x y z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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B .1672 .25 .873 .8 |
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Al1 .1150 .25 .5696 .02 .0012 .0076 .0012 0 -.0000 0 |
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Cr1 .1150 .25 .5696 .02 .0012 .0076 .0012 0 -.0000 0 |
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Fe1 .1150 .25 .5696 .61 .0012 .0076 .0012 0 -.0000 0 |
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Ti1 .1150 .25 .5696 .17 .0012 .0076 .0012 0 -.0000 0 |
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Mg1 .1150 .25 .5696 .18 .0012 .0076 .0012 0 -.0000 0 |
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Mg2 .1024 .25 .1901 .0008 .0156 .0017 0 -.0006 0 |
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O1 .0192 .25 .8662 .7 |
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O2 .2478 .25 .7484 .4 |
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O3 .2372 .25 .0059 .6 |
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O4 .0099 .25 .3824 .59 |
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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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| |
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Warwickite |
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Bigi S, Brigatti M F, Capedri S |
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American Mineralogist 76 (1991) 1380-1388 |
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Crystal chemistry of Fe- and Cr-rich warwickite |
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sample S7 |
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9.255 3.0941 9.402 90 90 90 Pnma |
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atom x y z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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B .1663 .25 .8740 .0015 .0183 .0014 0 .0006 0 |
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Al1 .11552 .25 .56856 .01 0017 .0167 .0018 0 -.0002 0 |
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Cr1 .11552 .25 .56856 .23 .0017 .0167 .0018 0 -.0002 0 |
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Fe1 .11552 .25 .56856 .54 .0017 .0167 .0018 0 -.0002 0 |
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Ti1 .11552 .25 .56856 .10 .0017 .0167 .0018 0 -.0002 0 |
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Mg1 .11552 .25 .56856 .12 .0017 .0167 .0018 0 -.0002 0 |
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Mg2 .1025 .25 .1904 .0012 .0172 .0019 0 .0000 0 |
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O1 .0210 .25 .8671 .0011 .0261 .0017 0 -.0000 0 |
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O2 .2470 .25 .7470 .0013 .0235 .0014 0 .0002 0 |
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O3 .2379 .25 .0053 .0010 .0313 .0011 0 -.0004 0 |
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O4 .0095 .25 .3843 .0022 .0209 .0012 0 .0001 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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