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Fluor-liddicoatite |
| |
Ertl A, Hughes J M, Prowatke S, Ludwig T, Prasad P S R, Brandstatter F, |
|
Korner W, Schuster R, Pertlik F, Marschall H |
 |
American Mineralogist 91 (2006) 1847-1856 |
|
Tetrahedrally-coordinated boron in tourmalines from the liddicoatite-elbaite |
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series from Madagascar: Structure, chemistry, and infrared spectroscopic studies |
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Locality: Anjanabonoina, Madagascar |
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Sample: LID3NEW |
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_database_code_amcsd 0004246 |
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15.8322 15.8322 7.1034 90 90 120 R3m |
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atom x y z occ Uiso |
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CaX 0 0 .75 .57 .0069 |
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NaX 0 0 .75 .29 .0069 |
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AlY -.12340 -.06170 .3518 .47 .0104 |
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LiY -.12340 -.06170 .3518 .44 .0104 |
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Mn2+Y -.12340 -.06170 .3518 .02 .0104 |
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AlZ -.29675 -.25965 .37670 .00810 |
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SiT -.19203 -.19009 -.01194 .98 .00557 |
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BT -.19203 -.19009 -.01194 .02 .00557 |
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B -.10891 -.21782 -.4668 .0082 |
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F1W 0 0 .2026 .76 .0365 |
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O1W 0 0 .2026 .24 .0365 |
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O2 -.05989 -.11978 -.4938 .0191 |
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O3V -.26830 -.13415 .4783 .0129 |
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O4 -.09253 -.18506 -.0866 .0106 |
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O5 -.18439 -.092145 -.1081 .0109 |
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O6 -.19564 -.18583 .2123 .0097 |
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O7 -.28612 -.28547 -.09272 .00845 |
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O8 -.20964 -.27022 -.4530 .0098 |
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H1W -.0552 -.0276 .151 .08 .000 |
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H3V -.267 -.1335 -.419 .041 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
| |
|
Fluor-liddicoatite |
| |
Ertl A, Hughes J M, Prowatke S, Ludwig T, Prasad P S R, Brandstatter F, |
|
Korner W, Schuster R, Pertlik F, Marschall H |
|
American Mineralogist 91 (2006) 1847-1856 |
|
Tetrahedrally-coordinated boron in tourmalines from the liddicoatite-elbaite |
|
series from Madagascar: Structure, chemistry, and infrared spectroscopic studies |
|
Locality: Anjanabonoina, Madagascar |
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Sample: LID6A1 |
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_database_code_amcsd 0004247 |
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15.8204 15.8204 7.0955 90 90 120 R3m |
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atom x y z occ Uiso |
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CaX 0 0 .25 .50 .0093 |
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NaX 0 0 .25 .34 .0093 |
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AlY .12266 .06133 -.3470 .52 .0104 |
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LiY .12266 .06133 -.3470 .38 .0104 |
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Fe2+Y .12266 .06133 -.3470 .02 .0104 |
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Mn2+Y .12266 .06133 -.3470 .01 .0104 |
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AlZ .29675 .25979 -.37409 .00827 |
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SiT .19196 .19000 .01538 .96 .00611 |
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BT .19196 .19000 .01538 .04 .00611 |
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B .10895 .21790 .4698 .0082 |
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F1W 0 0 -.2009 .56 .0325 |
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O1W 0 0 -.2009 .44 .0325 |
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O2 .05996 .11992 .4991 .0188 |
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O3V .26689 .133445 -.4759 .0138 |
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O4 .09279 .18558 .0900 .0112 |
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O5 .18494 .09247 .1115 .0117 |
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O6 .19538 .18539 -.2093 .00974 |
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O7 .28627 .28561 .09517 .00873 |
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O8 .20955 .27011 .45548 .00982 |
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H1W .0538 .0269 -.145 .147 .000 |
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H3V .263 .1315 .413 .049 |
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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
|
| |
|
Fluor-liddicoatite |
| |
Ertl A, Hughes J M, Prowatke S, Ludwig T, Prasad P S R, Brandstatter F, |
|
Korner W, Schuster R, Pertlik F, Marschall H |
|
American Mineralogist 91 (2006) 1847-1856 |
|
Tetrahedrally-coordinated boron in tourmalines from the liddicoatite-elbaite |
|
series from Madagascar: Structure, chemistry, and infrared spectroscopic studies |
|
Locality: Anjanabonoina, Madagascar |
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Sample: LID52 |
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_database_code_amcsd 0004248 |
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15.8119 15.8119 7.0925 90 90 120 R3m |
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atom x y z occ Uiso |
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CaX 0 0 .25 .41 .0110 |
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NaX 0 0 .25 .41 .0110 |
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AlY .12240 .06120 -.34536 .54 .0102 |
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LiY .12240 .06120 -.34536 .36 .0102 |
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Mn2+Y .12240 .06120 -.34536 .01 .0102 |
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Fe2+Y .12240 .06120 -.34536 .01 .0102 |
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AlZ .29674 .25991 -.37294 .00815 |
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SiT .19188 .18990 .01696 .95 .00605 |
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BT .19188 .18990 .01696 .05 .00605 |
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B .10895 .21790 .4713 .0083 |
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F1W 0 0 -.2006 .51 .0303 |
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O1W 0 0 -.2006 .49 .0303 |
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O2 .05999 .11998 .5022 .0183 |
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O3V .26596 .13298 -.4746 .0138 |
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O4 .09304 .18608 .0913 .0113 |
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O5 .18534 .09267 .1129 .0118 |
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O6 .19522 .18508 -.20791 .00971 |
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O7 .28630 .28569 .09613 .00872 |
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O8 .20954 .27009 .45660 .00976 |
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H1W .0543 .02715 -.146 .163 .000 |
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H3V .263 .1315 .418 .052 |
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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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|
Elbaite |
 |
Ertl A, Hughes J M, Prowatke S, Ludwig T, Prasad P S R, Brandstatter F, |
|
Korner W, Schuster R, Pertlik F, Marschall H |
|
American Mineralogist 91 (2006) 1847-1856 |
|
Tetrahedrally-coordinated boron in tourmalines from the liddicoatite-elbaite |
|
series from Madagascar: Structure, chemistry, and infrared spectroscopic studies |
|
Locality: Anjanabonoina, Madagascar |
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Sample: LC1 |
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_database_code_amcsd 0004249 |
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15.8095 15.8095 7.0941 90 90 120 R3m |
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atom x y z occ Uiso |
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NaX 0 0 .25 .46 .0138 |
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CaX 0 0 .25 .30 .0138 |
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AlY .12250 .06125 -.3432 .61 .0099 |
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LiY .12250 .06125 -.3432 .30 .0099 |
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AlZ .29678 .26009 -.37143 .00846 |
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SiT .19165 .18970 .01911 .93 .00651 |
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BT .19165 .18970 .01911 .07 .00651 |
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B .10909 .21818 .4732 .0083 |
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F1W 0 0 -.2009 .50 .0275 |
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O1W 0 0 -.2009 .50 .0275 |
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O2 .06001 .12002 .5064 .0173 |
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O3V .26455 .132275 -.4729 .0146 |
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O4 .09329 .18658 .0932 .0118 |
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O5 .18584 .09292 .1146 .0122 |
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O6 .19487 .18469 -.2058 .00993 |
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O7 .28619 .28565 .0973 .00912 |
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O8 .20959 .27011 .4580 .00986 |
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H1W .0529 .02645 -.140.167 .000 |
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H3V .262 .131 .423 .047 |
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|
| Download AMC data (View Text File)
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View JMOL 3-D Structure
|
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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)
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Download diffraction data (View Text File)
View JMOL 3-D Structure
|
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Dravite |
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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: 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 |
|
O8 .20927 .27006 .44018 .00962 |
|
|
| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
|
| |
|
Dravite |
|
Marschall H R, Ertl A, Hughes J M, McCammon C A |
| |
European Journal of Mineralogy 16 (2004) 817-823 |
|
Metamorphic Na- and OH-rich disordered dravite with tetrahedral boron, |
|
associated with omphacite, from Syros, Greece: chemistry and structure |
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Sample: SY309B |
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Locality: Syros, Greece |
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_database_code_amcsd 0007080 |
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15.9443 15.9443 7.2094 90 90 120 R3m |
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atom x y z occ Uiso |
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NaX 0 0 .25 .96 .0245 |
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CaX 0 0 .25 .02 .0245 |
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MgY .12515 .062575 -.3614 .43 .0112 |
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AlY .12515 .062575 -.3614 .33 .0112 |
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Fe2+Y .12515 .062575 -.3614 .15 .0112 |
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Fe3+Y .12515 .062575 -.3614 .06 .0112 |
|
TiY .12515 .062575 -.3614 .02 .0112 |
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AlZ .29829 .26178 -.3812 .82 .0077 |
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MgZ .29829 .26178 -.3812 .18 .0077 |
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SiT .19184 .18997 .0060 .97 .0057 |
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BT .19184 .18997 .0060 .03 .0057 |
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B .11005 .22010 .4618 .0091 |
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OH1 0 0 -.2196 .93 .0162 |
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F1 0 0 -.2196 .07 .0162 |
|
O2 .06101 .12202 .4917 .0141 |
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O3 .2654 .1327 -.4816 .0140 |
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O4 .09298 .18596 .0755 .0124 |
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O5 .1840 .0920 .0966 .0126 |
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O6 .19632 .18627 -.2160 .0108 |
|
O7 .28478 .28470 .0860 .0105 |
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O8 .20952 .27031 .4477 .0119 |
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H3 .266 .133 .389 .02 |
|
|
| 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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