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Oxy-schorl |
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Ertl A, Marschall H, Geister G, Henry D, Schertl H P, |
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Ntaflos T, Luvizotto G, Nasdala L, Tillmanns E |
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American Mineralogist 95 (2010) 1-10 |
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Metamorphic ultrahigh-pressure tourmaline: structure, |
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chemistry, and correlations to P-T conditions |
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Locality: Saxonian Erzegebirge, Germany |
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_database_code_amcsd 0004995 |
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15.929 15.929 7.183 90 90 120 R3m |
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atom x y z occ Uiso |
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NaX 0 0 .2250 .86 .0219 |
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CaX 0 0 .2250 .02 .0219 |
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KX 0 0 .2250 .02 .0219 |
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AlY .12241 .06121 .63418 .543 .00765 |
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FeY .12241 .06121 .63418 .410 .00765 |
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TiY .12241 .06121 .63418 .037 .00765 |
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MgY .12241 .06121 .63418 .010 .00765 |
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ZnY .12241 .06121 .63418 .003 .00765 |
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AlZ .29781 .26128 .60853 .842 .00541 |
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MgZ .29781 .26128 .60853 .158 .00541 |
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SiT .19157 .18968 -.00115 .99 .00525 |
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AlT .19157 .18968 -.00115 .01 .00525 |
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B .10999 .21998 .4526 .0068 |
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O1 0 0 .7708 .81 .0224 |
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OH1 0 0 .7708 .09 .0224 |
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F1 0 0 .7708 .10 .0224 |
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O2 .06101 .12202 .48628 .0130 |
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O3 .26269 .13135 .50873 .0158 |
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H3 .252 .126 .397 .042 |
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O4 .09338 .18676 .07027 .01067 |
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O5 .18558 .09279 .09176 .01051 |
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O6 .19525 .18501 .77532 .00927 |
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O7 .28521 .28528 .07611 .00885 |
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O8 .20931 .27011 .43816 .01020 |
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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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Dravite |
 |
Ertl A, Marschall H, Geister G, Henry D, Schertl H P, |
|
Ntaflos T, Luvizotto G, Nasdala L, Tillmanns E |
| |
American Mineralogist 95 (2010) 1-10 |
|
Metamorphic ultrahigh-pressure tourmaline: structure, |
|
chemistry, and correlations to P-T conditions |
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Locality: Parigi, Dora Maira, Western Alps, Italy |
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_database_code_amcsd 0004996 |
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15.935 15.935 7.201 90 90 120 R3m |
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atom x y z occ Uiso |
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NaX 0 0 .2396 .90 .0214 |
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CaX 0 0 .2396 .05 .0214 |
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KX 0 0 .2396 .01 .0214 |
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MgY .12571 .06286 .63044 .593 .0081 |
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AlY .12571 .06286 .63044 .330 .0081 |
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FeY .12571 .06286 .63044 .040 .0081 |
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TiY .12571 .06286 .63044 .010 .0081 |
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AlZ .29806 .26164 .61163 .85 .00622 |
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MgZ .29806 .26164 .61163 .15 .00622 |
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SiT .19191 .19000 -.00089 .00548 |
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B .10979 .21958 .4546 .0069 |
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OH1 0 0 .7720 .72 .0144 |
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F1 0 0 .7720 .28 .0144 |
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O2 .06094 .12188 .4848 .0111 |
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O3 .26529 .13265 .5106 .0127 |
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H3 .259 .130 .400 .049 |
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O4 .09305 .1861 .0694 .0107 |
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O5 .18401 .092 .0909 .0106 |
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O6 .19604 .18586 .77669 .00877 |
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O7 .28501 .28490 .07900 .00867 |
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O8 .20952 .27018 .44103 .00961 |
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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
|
| |
|
Dravite |
|
Ertl A, Marschall H, Geister G, Henry D, Schertl H P, |
|
Ntaflos T, Luvizotto G, Nasdala L, Tillmanns E |
| |
American Mineralogist 95 (2010) 1-10 |
|
Metamorphic ultrahigh-pressure tourmaline: structure, |
|
chemistry, and correlations to P-T conditions |
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Locality: Lago di Cignana, Western Alps, Italy |
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_database_code_amcsd 0004997 |
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15.945 15.945 7.210 90 90 120 R3m |
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atom x y z occ Uiso |
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NaX 0 0 .2325 .84 .0204 |
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CaX 0 0 .2325 .09 .0204 |
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KX 0 0 .2325 .01 .0204 |
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MgY .12426 .06213 .63250 .547 .00810 |
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AlY .12426 .06213 .63250 .263 .00810 |
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FeY .12426 .06213 .63250 .160 .00810 |
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MnY .12426 .06213 .63250 .020 .00810 |
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TiY .12426 .06213 .63250 .007 .00810 |
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NiY .12426 .06213 .63250 .007 .00810 |
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ZnY .12426 .06213 .63250 .003 .00810 |
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AlZ .29802 .26159 .61070 .833 .00545 |
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MgZ .29802 .26159 .61070 .167 .00545 |
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SiT .19175 .18990 -.00135 .997 .00520 |
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AlT .19175 .18990 -.00135 .003 .00520 |
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B .10987 .21974 .4536 .0065 |
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OH1 0 0 .7712 .65 .0135 |
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F1 0 0 .7712 .35 .0135 |
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O2 .06106 .12212 .48347 .01023 |
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O3 .26510 .13255 .50989 .0125 |
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H3 .256 .128 .400 .045 |
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O4 .09310 .1862 .06931 .01017 |
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O5 .18433 .09217 .09025 .01010 |
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O6 .19581 .18592 .77662 .00840 |
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O7 .28489 .28483 .07811 .00850 |
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O8 .20927 .27006 .44018 .00962 |
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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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Fluor-schorl |
| |
Ertl A, Kolitsch U, Prowatke S, Dyar M D, Henry D J |
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European Journal of Mineralogy 18 (2006) 583-588 |
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The F-analogue of schorl from Grasstein, Trentino - South Tyrol, Italy: crystal |
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structure and chemistry |
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Locality: pegmatite at Grasstein, Trentino-South Tyrol, Italy |
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_database_code_amcsd 0007165 |
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15.997 15.997 7.179 90 90 120 R3m |
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atom x y z occ Uiso |
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NaX 0 0 .2295 .78 .0243 |
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KX 0 0 .2295 .01 .0243 |
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Fe2+Y .12643 .063214 .62633 .63 .00763 |
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AlY .12643 .063214 .62633 .19 .00763 |
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Fe3+Y .12643 .063214 .62633 .04 .00763 |
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Mn2+Y .12643 .063214 .62633 .04 .00763 |
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Ti4+Y .12643 .063214 .62633 .01 .00763 |
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MgY .12643 .063214 .62633 .01 .00763 |
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ZnY .12643 .063214 .62633 .01 .00763 |
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AlZ .29899 .26186 .61246 .96 .00545 |
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FeZ .29899 .26186 .61246 .04 .00545 |
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SiT .19174 .18983 .00079 .98 .00480 |
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AlT .19174 .18983 .00079 .02 .00480 |
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B .11013 .22027 .4567 .0066 |
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O2 .06163 .12325 .48601 .0146 |
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Oh3V .26992 .13496 .51180 .0125 |
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FW 0 0 .7848 .76 .0408 |
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OHW 0 0 .7848 .24 .0408 |
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O4 .09295 .18590 .06917 .0091 |
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O5 .18634 .09317 .09123 .00924 |
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O6 .19797 .18804 .77760 .00828 |
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O7 .28469 .28525 .08089 .00796 |
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O8 .20979 .27035 .44298 .00962 |
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H .255 .1276 .385 .049 |
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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
|
| |
|
Fluor-schorl |
| |
Ertl A, Kolitsch U, Prowatke S, Dyar M D, Henry D J |
| |
European Journal of Mineralogy 18 (2006) 583-588 |
|
The F-analogue of schorl from Grasstein, Trentino - South Tyrol, Italy: crystal |
|
structure and chemistry |
|
Locality: pegmatite at Grasstein, Trentino-South Tyrol, Italy |
|
_database_code_amcsd 0007165 |
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15.997 15.997 7.179 90 90 120 R3m |
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atom x y z occ Uiso |
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NaX 0 0 .2295 .78 .0243 |
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KX 0 0 .2295 .01 .0243 |
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Fe2+Y .12643 .063214 .62633 .63 .00763 |
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AlY .12643 .063214 .62633 .19 .00763 |
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Fe3+Y .12643 .063214 .62633 .04 .00763 |
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Mn2+Y .12643 .063214 .62633 .04 .00763 |
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Ti4+Y .12643 .063214 .62633 .01 .00763 |
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MgY .12643 .063214 .62633 .01 .00763 |
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ZnY .12643 .063214 .62633 .01 .00763 |
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AlZ .29899 .26186 .61246 .96 .00545 |
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FeZ .29899 .26186 .61246 .04 .00545 |
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SiT .19174 .18983 .00079 .98 .00480 |
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AlT .19174 .18983 .00079 .02 .00480 |
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B .11013 .22027 .4567 .0066 |
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O2 .06163 .12325 .48601 .0146 |
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Oh3V .26992 .13496 .51180 .0125 |
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FW 0 0 .7848 .76 .0408 |
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OHW 0 0 .7848 .24 .0408 |
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O4 .09295 .18590 .06917 .0091 |
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O5 .18634 .09317 .09123 .00924 |
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O6 .19797 .18804 .77760 .00828 |
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O7 .28469 .28525 .08089 .00796 |
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O8 .20979 .27035 .44298 .00962 |
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H .255 .1276 .385 .049 |
|
|
| 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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