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Fluor-dravite |
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Bloodaxe E S, Hughes J M, Dyar M D, Grew E S, Guidotti C V |
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American Mineralogist 84 (1999) 922-928 |
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Linking structure and chemistry in the schorl-dravite series |
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Sample #32008 |
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Locality: Tait farm, Dungannon Township, Hastings County, Ontario, Canada |
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_database_code_amcsd 0002246 |
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15.965 15.965 7.199 90 90 120 R3m |
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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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NaX 0 0 .25 .471 .00120 .00120 .0045 .00060 0 0 |
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CaX 0 0 .25 .368 .00120 .00120 .0045 .00060 0 0 |
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KX 0 0 .25 .029 .00120 .00120 .0045 .00060 0 0 |
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MgY .27140 .54280 .3223 .460 .00077 .00104 .0048 .00052 .000395 .00079 |
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Fe2Y .27140 .54280 .3223 .093 .00077 .00104 .0048 .00052 .000395 .00079 |
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MnY .27140 .54280 .3223 .004 .00077 .00104 .0048 .00052 .000395 .00079 |
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Fe3Y .27140 .54280 .3223 .288 .00077 .00104 .0048 .00052 .000395 .00079 |
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AlY .27140 .54280 .3223 .117 .00077 .00104 .0048 .00052 .000395 .00079 |
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TiY .27140 .54280 .3223 .011 .00077 .00104 .0048 .00052 .000395 .00079 |
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LiY .27140 .54280 .3223 .006 .00077 .00104 .0048 .00052 .000395 .00079 |
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AlZ .29804 .26164 .6346 .848 .00044 .00040 .00175 .000225 -.00011 -.000025 |
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MgZ .29804 .26164 .6346 .152 .00044 .00040 .00175 .000225 -.00011 -.000025 |
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SiT .19175 .18997 .0223 .00054 .00056 .00243 .00025 -.00002 -.000105 |
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B .1102 .2204 .4745 .0009 .0008 .0025 .0004 .00005 .0001 |
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F1 0 0 .8001 .495 .0011 .0011 .0051 .00055 0 0 |
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OH1 0 0 .8001 .020 .0011 .0011 .0051 .00055 0 0 |
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O1 0 0 .8001 .485 .0011 .0011 .0051 .00055 0 0 |
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O2 .0609 .1218 .5005 .00108 .0009 .0051 .00045 .0001 .0002 |
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OH3 .2678 .1339 .5338 .0019 .00114 .0028 .00095 .0001 .00005 |
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O4 .0922 .1844 .0931 .00094 .0017 .0031 .00085 -.00015 -.0003 |
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O5 .1835 .09175 .1133 .0017 .00064 .0041 .00085 .00045 .000225 |
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O6 .1960 .1866 .7997 .00117 .00100 .0027 .00062 -.0001 -.00025 |
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O7 .2847 .2846 .1027 .00084 .00090 .0039 .000215 -.0003 -.0002 |
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O8 .2097 .2702 .4639 .00075 .00095 .0061 .000513 .00015 .0006 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink) |
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Fluor-dravite |
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Camara F, Ottolini L, Hawthorne F C |
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American Mineralogist 87 (2000) 1437-1442 |
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Crystal chemistry of three tourmalines by SREF, EMPA and SIMS |
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Sample: Crystal 3 |
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Locality: a pegmatite at Minas Gerais, Brazil |
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_database_code_amcsd 0002915 |
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15.921 15.921 7.137 90 90 120 R3m |
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atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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NaX 0 0 .8189 .81 .025 .025 .016 .012 0 0 |
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CaX 0 0 .8189 .01 .025 .025 .016 .012 0 0 |
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KX 0 0 .8189 .01 .025 .025 .016 .012 0 0 |
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Fe2Y .0622 .9378 .4242 .30 .006 .006 .008 .002 .001 -.001 |
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MgY .0622 .9378 .4242 .20 .006 .006 .008 .002 .001 -.001 |
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AlY .0622 .9378 .4242 .26 .006 .006 .008 .002 .001 -.001 |
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LiY .0622 .9378 .4242 .22 .006 .006 .008 .002 .001 -.001 |
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TiY .0622 .9378 .4242 .02 .006 .006 .008 .002 .001 -.001 |
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AlZ .2611 .2978 .4414 .006 .006 .004 .003 -.001 .000 |
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SiT .1899 .1919 .0529 .96 .004 .004 .004 .002 .000 .000 |
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B .8902 .1098 .5977 .006 .006 .007 .003 .000 .000 |
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O1 0 0 .2714 .03 .062 .062 .010 .031 0 0 |
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OH1 0 0 .2714 .42 .062 .062 .010 .031 0 0 |
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F1 0 0 .2714 .55 .062 .062 .010 .031 0 0 |
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O2 .9389 .0611 .5687 .022 .022 .010 .020 .000 .000 |
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OH3 .1343 .8657 .5432 .010 .010 .006 .001 .000 .000 |
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O4 .9068 .0932 .9822 .007 .007 .007 .000 .000 .000 |
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O5 .0932 .9068 .9603 .007 .007 .007 .000 .000 .000 |
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O6 .1870 .1971 .2768 .009 .007 .004 .003 .000 .000 |
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O7 .2857 .2855 .9727 .006 .005 .006 .001 .001 .000 |
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O8 .2706 .2099 .6115 .010 .005 .008 .004 -.003 -.001 |
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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-dravite |
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Clark C M, Hawthorne F C, Ottolini L |
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The Canadian Mineralogist 49 (2011) 57-62 |
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Fluor-dravite, NaMg3Al6Si6O18(BO3)3(OH)3F, a new mineral species of the tourmaline |
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group from the Crabtree Emerald mine, Mitchell County, North Carolina: |
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Description and crystal structure |
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Locality: the Crabtree Emerald mine, Mitchell County, North Carolina, USA |
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_database_code_amcsd 0018741 |
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15.955 15.955 7.153 90 90 120 R3m |
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atom x y z occ Uiso |
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NaX 0 0 .84080 .88 .0209 |
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CaX 0 0 .84080 .04 .0209 |
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MgY .06312 .93688 .44473 .43 .0088 |
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FeY .06312 .93688 .44473 .29 .0088 |
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AlY .06312 .93688 .44473 .19 .0088 |
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MnY .06312 .93688 .44473 .03 .0088 |
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TiY .06312 .93688 .44473 .01 .0088 |
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LiY .06312 .93688 .44473 .04 .0088 |
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AlZ .26174 .29827 .45757 .91 .0071 |
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MgZ .26174 .29827 .45757 .09 .0071 |
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SiT .19009 .19191 .07041 .0067 |
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B .88998 .11002 .61615 .0082 |
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F1 0 0 .29119 .61 .0197 |
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OH1 0 0 .29119 .39 .0197 |
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OH2 .93841 .06159 .59029 .0122 |
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O3 .13491 .86509 .55913 .0114 |
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O4 .90702 .09298 .00075 .0109 |
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O5 .09271 .90729 -.02049 .0108 |
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O6 .18803 .19746 .29369 .0094 |
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O7 .28527 .28493 -.01074 .0092 |
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O8 .27133 .21031 .62784 .0100 |
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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-dravite |
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Bosi F, Lucchesi S |
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European Journal of Mineralogy 16 (2004) 335-344 |
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Crystal chemistry of the schorl-dravite series |
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Note: Tourmaline TM504c |
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Locality: Olkhon (Lake Baikal), Siberia |
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_database_code_amcsd 0007049 |
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15.9706 15.9706 7.2276 90 90 120 R3m |
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atom x y z occ |
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NaX 0 0 .22556 .477 |
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CaX 0 0 .22556 .412 |
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KX 0 0 .22556 .015 |
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MgY .12391 .061955 .63460 .552 |
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AlY .12391 .061955 .63460 .210 |
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V3+Y .12391 .061955 .63460 .191 |
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Cr3+Y .12391 .061955 .63460 .032 |
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Ti4+Y .12391 .061955 .63460 .009 |
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ZnY .12391 .061955 .63460 .005 |
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Fe2+Y .12391 .061955 .63460 .002 |
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Mn2+Y .12391 .061955 .63460 .001 |
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AlZ .29797 .26170 .61193 .757 |
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MgZ .29797 .26170 .61193 .188 |
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V3+Z .29797 .26170 .61193 .043 |
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Cr3+Z .29797 .26170 .61193 .012 |
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SiT .19155 .18983 0 .985 |
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AlT .19155 .18983 0 .015 |
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B .10997 .21994 .45295 |
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O1W 0 0 .77105 .437 |
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F1W 0 0 .77105 .314 |
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OH1W 0 0 .77105 .248 |
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O2 .06065 .12130 .48040 |
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OH3V .26391 .131955 .51134 |
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O4 .09247 .18494 .07196 |
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O5 .18241 .091205 .09172 |
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O6 .19466 .18554 .77861 |
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O7 .28469 .28413 .07913 |
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O8 .20900 .26985 .44107 |
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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-dravite |
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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: Dravite 32008 |
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Locality: Bronson Station, Hastings Co., Ontario, Canada |
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_database_code_amcsd 0018790 |
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15.981 15.981 7.210 90 90 120 R3m |
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atom x y z occ Uiso |
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NaX 0 0 .2271 .55 .0169 |
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CaX 0 0 .2271 .35 .0169 |
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MgY .12388 .06194 .6334 .63 .0076 |
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LiY .12388 .06194 .6334 .013 .0076 |
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Fe2Y .12388 .06194 .6334 .15 .0076 |
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Fe3Y .12388 .06194 .6334 .2033 .0076 |
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AlZ .29802 .26169 .6124 .9117 .0049 |
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FeZ .29802 .26169 .6124 .0067 .0049 |
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MgZ .29802 .26169 .6124 .0767 .0049 |
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TiZ .29802 .26169 .6124 .005 .0049 |
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SiT .19178 .19007 0 .9967 .0047 |
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TiT .19178 .19007 0 .0033 .0047 |
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B .1098 .2196 .4531 .0070 |
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F1 0 0 .7766 .44 .0156 |
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OH1 0 0 .7766 .21 .0156 |
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O1 0 0 .7766 .35 .0156 |
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O2 .06095 .1219 .4782 .0101 |
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O3 .26726 .13363 .5122 .0111 |
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O4 .09254 .18508 .0706 .0091 |
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O5 .1828 .09140 .0913 .0096 |
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O6 .1962 .1869 .7779 .0084 |
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O7 .28486 .28434 .0802 .0083 |
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O8 .2095 .2702 .4422 .0094 |
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H3 .260 .130 .409 .0100 |
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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-dravite |
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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: Dravite 43873 |
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Locality: Pierrepont, St, Lawrence Co., New York, USA |
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_database_code_amcsd 0018791 |
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15.999 15.999 7.236 90 90 120 R3m |
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atom x y z occ Uiso |
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NaX 0 0 .2298 .713 .0200 |
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CaX 0 0 .2298 .301 .0200 |
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MgY .12428 .06214 .6336 .74 .0076 |
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Fe2Y .12428 .06214 .6336 .03 .0076 |
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Fe3Y .12428 .06214 .6336 .23 .0076 |
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AlZ .29811 .26179 .6125 .8817 .0052 |
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Fe3Z .29811 .26179 .6125 .0367 .0052 |
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MgZ .29811 .26179 .6125 .08 .0052 |
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SiT .19173 .18998 0 .99 .0052 |
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TiT .19173 .18998 0 .01 .0052 |
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B .1098 .2196 .4538 .0069 |
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F1 0 0 .7748 .42 .0138 |
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OH1 0 0 .7748 .28 .0138 |
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O1 0 0 .7748 .30 .0138 |
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O2 .06092 .12184 .4798 .0103 |
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O3 .26654 .13327 .5123 .0114 |
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O4 .09252 .18504 .0706 .0096 |
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O5 .1826 .09130 .0905 .0098 |
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O6 .1961 .1867 .7783 .0088 |
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O7 .2848 .2843 .0801 .0091 |
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O8 .2094 .2699 .4418 .0101 |
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H3 .262 .131 .409 .0100 |
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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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