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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 |
 |
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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| 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-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 |
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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)
Download CIF data (View Text File)
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
|
| |
|
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)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
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Elbaite |
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Ertl A, Tillmanns E, Ntaflos T, Francis C, Giester G, Korner W, Hughes J M, |
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Lengauer C, Prem M |
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European Journal of Mineralogy 20 (2008) 881-888 |
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Tetrahedrally coordinated boron in Al-rich tourmaline and its relationship |
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to the pressure-temperature conditions of formation |
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Locality: Sahatany Pegmatite Field, Manjaka, Sahatany Valley, Madagascar |
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Note: O5 and O6 z-coordinates changed to match reported bond lengths |
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_database_code_amcsd 0007264 |
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15.777 15.777 7.086 90 90 120 R3m |
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atom x y z occ Uiso |
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NaX 0 0 .2446 .53 .0225 |
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CaX 0 0 .2446 .09 .0225 |
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AlY .12079 .06040 -.34151 .667 .00799 |
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LiY .12079 .06040 -.34151 .3 .00799 |
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MnY .12079 .06040 -.34151 .03 .00799 |
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FeY .12079 .06040 -.34151 .003 .00799 |
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AlZ .29673 .26008 -.37240 .00647 |
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BT .19141 .18948 .01964 .065 .00539 |
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SiT .19141 .18948 .01964 .935 .00539 |
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B .10901 .21802 .4727 .0063 |
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O1 0 0 -.2045 .4 .0186 |
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OH1 0 0 -.2045 .6 .0186 |
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O2 .06021 .12042 .5106 .0130 |
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O3 .26139 .13069 -.47306 .01174 |
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O4 .09413 .18826 .09350 .00982 |
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O5 .18697 .09348 .11479 .01015 |
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O6 .19427 .18381 -.20587 .00768 |
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O7 .28625 .28584 .09589 .00718 |
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O8 .20953 .27006 .45705 .00766 |
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H3 .256 .1282 .411 .045 |
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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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