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Fluor-liddicoatite |
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Ertl A, Hughes J M, Prowatke S, Ludwig T, Prasad P S R, Brandstatter F, |
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Korner W, Schuster R, Pertlik F, Marschall H |
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American Mineralogist 91 (2006) 1847-1856 |
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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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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: 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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View JMOL 3-D Structure
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Fluor-liddicoatite |
| |
Ertl A, Hughes J M, Prowatke S, Ludwig T, Prasad P S R, Brandstatter F, |
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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: 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)
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View JMOL 3-D Structure
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Elbaite |
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Ertl A, Hughes J M, Prowatke S, Ludwig T, Prasad P S R, Brandstatter F, |
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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: 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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Olenite |
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Ertl A, Schuster R, Prowatke S, Brandstatter F, Ludwig T, Bernhardt H J, Koller F, Hughes J M |
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European Journal of Mineralogy 16 (2004) 551-560 |
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Mn-rich tourmaline and fluorapatite in a Variscan pegmatite |
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from Eibenstein an der Thaya, Bohemian massif, Lower Austria |
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Locality: Eibenstein an der Thaya, Bohemian massif, Lower Austria |
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_database_code_amcsd 0007078 |
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15.9158 15.9158 7.1201 90 90 120 R3m |
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atom x y z occ Uiso |
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NaX 0 0 .25 .84 .0276 |
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CaX 0 0 .25 .03 .0276 |
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KX 0 0 .25 .01 .0276 |
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AlY .12372 .06186 -.3537 .48 .0113 |
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Mn2+Y .12372 .06186 -.3537 .31 .0113 |
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LiY .12372 .06186 -.3537 .18 .0113 |
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Fe2+Y .12372 .06186 -.3537 .02 .0113 |
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TiY .12372 .06186 -.3537 .01 .0113 |
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AlZ .29774 .26107 -.3694 .00761 |
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SiT .19196 .19001 .0196 .96 .00663 |
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AlT .19196 .19001 .0196 .04 .00663 |
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B .10984 .21968 .4736 .0082 |
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F1 0 0 -.2003 .54 .0430 |
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OH1 0 0 -.2003 .37 .0430 |
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O1 0 0 -.2003 .09 .0430 |
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O2 .06110 .12220 .5022 .0213 |
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O3V .26752 .13376 -.4715 .0128 |
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O4 .09337 .18674 .0906 .0106 |
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O5 .18708 .09354 .1130 .0114 |
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O6 .19707 .18690 -.2057 .0098 |
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O7 .28589 .28612 .0993 .0083 |
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O8 .20995 .27077 .4601 .0101 |
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H3V .267 .1335 .416 .017 |
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|
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View JMOL 3-D Structure
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Rancieite |
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Ertl A, Pertlik F, Prem M, Post J E, Kim S J, Brandstatter F, Schuster R |
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European Journal of Mineralogy 17 (2005) 163-172 |
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Rancieite crystals from Friesach, Carinthia, Austria |
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Note: Birnessite group |
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Locality: Friesach, Carinthia, Austria |
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_database_code_amcsd 0007090 |
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2.845 2.845 7.485 90 90 120 P-3 |
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atom x y z occ Biso |
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Ca .5 0 .5 .53 1.40 |
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Mn4+ 0 0 0 1/6 1.40 |
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O1 1/3 2/3 .140 1/3 1.40 |
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O2 0 0 .5 .32 1.40 |
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O3 2/3 1/3 .380 .60 1.40 |
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| Download AMC data (View Text File)
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View JMOL 3-D Structure
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Dumortierite |
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Fuchs Y, Ertl A, Hughes J M, Prowatke S, Brandstatter F, Schuster R |
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European Journal of Mineralogy 17 (2005) 173-183 |
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Dumortierite from the Gfohl unit, Lower Austria: chemistry, structure, |
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and infra-red spectroscopy |
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Sample: DUM1 |
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Locality: Gfohl unit, Lower Austria |
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_database_code_amcsd 0007091 |
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4.6900 11.7875 20.1823 90 90 90 Pnma |
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atom x y z occ Uiso |
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AlM1 .6024 .75 .74985 .78 .0271 |
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MgM1 .6024 .75 .74985 .09 .0271 |
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TiM1 .6024 .75 .74985 .01 .0271 |
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AlM2 .05807 .11044 .472510 .93 .00578 |
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TiM2 .05807 .11044 .472510 .03 .00578 |
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AlM3 .44028 .00893 .568913 .94 .00587 |
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FeM3 .44028 .00893 .568913 .02 .00587 |
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AlM4 .44231 .14142 .711001 .98 .00753 |
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SiT1 .58715 .25 .40541 .85 .00717 |
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AlT1 .58715 .25 .40541 .15 .00717 |
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SiT2 .91289 -.02418 .671678 .995 .00710 |
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AlT2 .91289 -.02418 .671678 .005 .00710 |
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B .2749 .25 .58386 .0088 |
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O1 .8769 .25 .45419 .0102 |
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O2 .3375 .25 .64938 .723 .0110 |
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OH2 .3375 .25 .64938 .27 .0110 |
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F2 .3375 .25 .64938 .007 .0110 |
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O3 .39605 .13933 .42443 .00916 |
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O4 .09935 .06414 .71730 .00947 |
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O5 .10440 -.05002 .60651 .00905 |
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O6 .61931 .04612 .64971 .01037 |
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O7 .8507 -.13869 .71307 .723 .01500 |
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OH7 .8507 -.13869 .71307 .27 .01500 |
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F7 .8507 -.13869 .71307 .007 .01500 |
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O8 .6511 .25 .32635 .0151 |
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O9 .24556 .14885 .55201 .00975 |
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O10 .7387 .25 .72778 .0112 |
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O11 .74983 .03358 .51196 .00821 |
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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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Dumortierite |
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Fuchs Y, Ertl A, Hughes J M, Prowatke S, Brandstatter F, Schuster R |
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European Journal of Mineralogy 17 (2005) 173-183 |
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Dumortierite from the Gfohl unit, Lower Austria: chemistry, structure, |
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and infra-red spectroscopy |
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Sample: DUM2 |
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Locality: Gfohl unit, Lower Austria |
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_database_code_amcsd 0007092 |
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4.6948 11.8037 20.2106 90 90 90 Pnma |
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atom x y z occ Uiso |
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AlM1 .6045 .75 .74985 .74 .0277 |
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MgM1 .6045 .75 .74985 .12 .0277 |
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TiM1 .6045 .75 .74985 .01 .0277 |
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AlM2 .05808 .11043 .472535 .94 .00568 |
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TiM2 .05808 .11043 .472535 .01 .00568 |
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FeM2 .05808 .11043 .472535 .01 .00568 |
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AlM3 .44026 .00893 .568892 .93 .00550 |
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TiM3 .44026 .00893 .568892 .03 .00550 |
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AlM4 .44214 .14144 .710922 .98 .00741 |
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SiT1 .58718 .25 .40559 .85 .00695 |
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AlT1 .58718 .25 .40559 .15 .00695 |
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SiT2 .91298 -.02388 .671550 .99 .00683 |
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AlT2 .91298 -.02388 .671550 .01 .00683 |
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B .2749 .25 .58384 .0082 |
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O1 .8767 .25 .45429 .0099 |
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O2 .3365 .25 .64939 .714 .0108 |
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OH2 .3365 .25 .64939 .283 .0108 |
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F2 .3365 .25 .64939 .003 .0108 |
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O3 .39593 .13930 .42450 .00874 |
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O4 .09924 .06427 .71729 .00903 |
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O5 .10440 -.04995 .60648 .00875 |
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O6 .61918 .04632 .64962 .01006 |
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O7 .8502 -.13825 .71292 .714 .0145 |
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OH7 .8502 -.13825 .71292 .283 .0145 |
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F7 .8502 -.13825 .71292 .003 .0145 |
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O8 .6516 .25 .32667 .0146 |
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O9 .24548 .14892 .55200 .00951 |
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O10 .7385 .25 .72775 .0107 |
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O11 .74984 .03342 .51193 .00764 |
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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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