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Staurolite |
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Koch-Muller M, Kahlenberg V, Bubenick W, Gottschalk M |
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European Journal of Mineralogy 10 (1998) 453-460 |
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Crystal-structure refinement of synthetic Fe- and Mg-staurolite by |
|
Rietveld analysis of X-ray powder-diffraction data |
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Sample: Mg-staurolite synthesized at 25 kbar |
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_database_code_amcsd 0006726 |
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7.8791 16.5425 5.6329 90 90 90 Ccmm |
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atom x y z occ Uiso |
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MgT2 .3877 0 .25 .53 .0155 |
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AlT2 .3877 0 .25 .04 .0155 |
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SiT1 .1344 .1672 .25 .98 .0035 |
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AlT1 .1344 .1672 .25 .02 .0035 |
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AlM1 .5 .1737 0 .97 .0050 |
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MgM1 .5 .1737 0 .03 .0050 |
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AlM2 .2631 .4101 .25 .97 .0060 |
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MgM2 .2631 .4101 .25 .03 .0060 |
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AlM3 0 0 0 .43 .0057 |
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MgM3 0 0 0 .03 .0057 |
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MgM4 .5 0 0 .22 .0083 |
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O1 .2361 0 .9770 .0086 |
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O2 .2559 .1627 .0116 .0044 |
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O3 .0043 .0856 .25 .0068 |
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O4 .0205 .2508 .25 .0047 |
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O5 .5253 .0934 .25 .0047 |
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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
|
| |
|
Staurolite |
|
Koch-Muller M, Kahlenberg V, Bubenick W, Gottschalk M |
| |
European Journal of Mineralogy 10 (1998) 453-460 |
|
Crystal-structure refinement of synthetic Fe- and Mg-staurolite by |
|
Rietveld analysis of X-ray powder-diffraction data |
|
Sample: Fe-staurolite synthesized at 25 kbar |
|
_database_code_amcsd 0006727 |
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7.8719 16.6231 5.6583 90 90 90 Ccmm |
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atom x y z occ Uiso |
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FeT2 .3942 0 .25 .71 .0149 |
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AlT2 .3942 0 .25 .15 .0149 |
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SiT1 .1324 .1654 .25 .95 .0039 |
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AlT1 .1324 .1654 .25 .05 .0039 |
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AlM1 .5 .1734 0 .97 .0050 |
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FeM1 .5 .1734 0 .03 .0050 |
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AlM2 .2681 .4106 .25 .97 .0060 |
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FeM2 .2681 .4106 .25 .03 .0060 |
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AlM3 0 0 0 .48 .0065 |
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FeM4 .5 0 0 .05 .0135 |
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O1 .2352 0 .9667 .0096 |
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O2 .2532 .1614 .0143 .0060 |
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O3 .0011 .0882 .25 .0084 |
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O4 .0192 .2463 .25 .0059 |
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O5 .5317 .0989 .25 .0059 |
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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
|
| |
|
Staurolite |
|
Koch-Muller M, Kahlenberg V, Bubenick W, Gottschalk M |
| |
European Journal of Mineralogy 10 (1998) 453-460 |
|
Crystal-structure refinement of synthetic Fe- and Mg-staurolite by |
|
Rietveld analysis of X-ray powder-diffraction data |
|
Sample: Fe-staurolite synthesized at 5 kbar |
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Note: These coordinates do not reproduce the reported bond lengths, but |
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Koch-Muller tells me that the coordinates are correct, and the reported |
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bond lengths were incorrect. |
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_database_code_amcsd 0006728 |
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7.8783 16.6172 5.6591 90 90 90 Ccmm |
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atom x y z occ Uiso |
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FeT2 .3952 0 .25 .78 .0149 |
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AlT2 .3952 0 .25 .08 .0149 |
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SiT1 .1307 .1648 .25 .95 .0039 |
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AlT1 .1307 .1648 .25 .05 .0039 |
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AlM1 .5 .1752 0 .97 .0050 |
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FeM1 .5 .1752 0 .03 .0050 |
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AlM2 .2696 .4105 .25 .97 .0060 |
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FeM2 .2696 .4105 .25 .03 .0060 |
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AlM3 0 0 0 .52 .0065 |
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FeM4 .5 0 0 .01 .0135 |
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O1 .2405 0 .9661 .0096 |
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O2 .2544 .1626 .0138 .0060 |
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O3 .0000 .0864 .25 .0084 |
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O4 .0222 .2443 .25 .0059 |
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O5 .5302 .0987 .25 .0059 |
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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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