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Fluor-buergerite |
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Tippe A, Hamilton W C |
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American Mineralogist 56 (1971) 101-113 |
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A neutron-diffraction study of the ferric tourmaline, buergerite |
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Locality: Mexquitic, San Luis Potosi, Mexico |
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_database_code_amcsd 0000221 |
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15.869 15.869 7.188 90 90 120 R3m |
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atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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NaX 0 0 .21186 .00325 .00325 .00720 .001625 0 0 |
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FeY -.06614 .06614 .62217 .00103 .00103 .00585 .00015 .00087 -.00087 |
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AlZ .29925 .25919 .60450 .00063 .00058 .00233 .00014 -.00007 .00041 |
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SiT .19171 .19087 0 .00063 .00062 .00294 .00029 -.00005 -.00034 |
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B .11001 -.11001 .45172 .00059 .00059 .00340 .00030 .00018 -.00018 |
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F1 0 0 .76850 .00192 .00192 .00359 .00096 0 0 |
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O2 .06042 -.06042 .48532 .00099 .00099 .00415 .00077 .00009 -.00009 |
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O3 -.13205 .13205 .52026 .00067 .00067 .00381 -.00004 -.00011 .00011 |
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O4 .09463 -.09463 .07612 .00086 .00086 .00356 .00033 -.00020 .00020 |
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O5 -.09117 .09117 .08362 .00095 .00095 .00298 .00015 -.00003 .00003 |
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O6 .19320 .18712 .77538 .00071 .00079 .00202 .00022 .00001 -.00006 |
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O7 .28708 .28592 .07513 .00061 .00047 .00315 .00012 .00001 -.00021 |
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O8 .20925 .26971 .43868 .00039 .00096 .00411 .00026 .00032 .00052 |
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H -.1313 .1313 .3889 2.4 |
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| Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink) |
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Fluor-buergerite |
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Barton R |
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Acta Crystallographica B25 (1969) 1524-1533 |
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Refinement of the crystal structure of buergerite and the absolute |
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orientation of tourmalines |
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Locality: Mexquitic, San Luis Potosi, Mexico |
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_database_code_amcsd 0018672 |
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15.869 15.869 7.188 90 90 120 R3m |
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atom x y z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3) |
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NaX 0 0 .21338 2.328 .00302 .00302 .01172 .00151 0 0 |
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FeY .13320 .06660 .62072 .848 .00072 .00072 .00544 .00003 .00087 -.00087 |
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AlZ .29880 .25887 .60437 .587 .00064 .00086 .00286 .00034 -.00007 .00035 |
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SiT .19156 .19065 0 .306 .00040 .00038 .00152 .00018 .00003 -.00008 |
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B1 .10992 .21984 .45182 .467 .00062 .00062 .00263 .00038 .00005 -.00005 |
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O1 .06056 .12112 .48607 .789 .00103 .00103 .00516 .00077 .00009 -.00009 |
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O2 .26450 .13225 .52094 .756 .00082 .00082 .00367 .00014 .00008 -.00008 |
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O3 .09478 .18956 .07532 .741 .00093 .00093 .00330 .00033 -.00005 .00005 |
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O4 .18258 .09129 .08388 .785 .00095 .00095 .00330 .00024 -.00012 .00012 |
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O5 .19314 .18680 .77481 .622 .00088 .00073 .00274 .00032 .00005 -.00002 |
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O6 .2867 .2858 .07445 .573 .00081 .00069 .00237 .00028 -.00017 -.00023 |
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O7 .20894 .26941 .43778 .628 .00062 .00087 .00381 .00040 -.00001 .00023 |
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FW 0 0 .76698 2.130 .00378 .00378 .00328 .00189 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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Fluor-buergerite |
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Grice J D, Ercit T S |
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Neues Jahrbuch fur Mineralogie, Abhandlungen 165 (1993) 245-266 |
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Ordering of Fe and Mg in the tourmaline crystal structure: The correct formula |
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Sample: Buergerite 43293 |
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Locality: Mapimi, Durango, Mexico |
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_database_code_amcsd 0018787 |
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15.874 15.874 7.196 90 90 120 R3m |
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atom x y z occ Uiso |
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NaX 0 0 .2154 .88 .0242 |
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CaX 0 0 .2154 .04 .0242 |
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Fe3Y .13246 .06623 .6223 .55 .0119 |
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AlY .13246 .06623 .6223 .3033 .0119 |
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Fe2Y .13246 .06623 .6223 .1267 .0119 |
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MgY .13246 .06623 .6223 .02 .0119 |
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AlZ .29865 .25865 .6044 .9167 .0067 |
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FeZ .29865 .25865 .6044 .0833 .0067 |
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SiT .19151 .19048 0 .9717 .0054 |
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BT .19151 .19048 0 .0167 .0054 |
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TiT .19151 .19048 0 .0117 .0054 |
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B .1101 .2202 .4523 .0075 |
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F1 0 0 .7681 .74 .0181 |
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O1 0 0 .7681 .26 .0181 |
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O2 .06047 .12094 .4863 .0090 |
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O3 .26358 .13179 .5205 .55 .0090 |
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OH3 .26358 .13179 .5205 .45 .0090 |
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O4 .09452 .18904 .0754 .0094 |
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O5 .18232 .09116 .0846 .0101 |
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O6 .1928 .1865 .7751 .0081 |
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O7 .2868 .2860 .0750 .0077 |
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O8 .2095 .2700 .4385 .0077 |
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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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