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Fluor-tsilaisite |
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Ertl A, Kolitsch U, Dyar M D, Hughes J M, Rossman G R, Pieczka A, Henry D J, |
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Pezzotta F, Prowatke S, Lengauer C L, Korner W, Brandstatter F, |
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Francis C A, Prem M, Tillmanns E |
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American Mineralogist 97 (2012) 1402-1416 |
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Limitations of Fe2+ and Mn2+ site occupancy in tourmaline: |
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Evidence from Fe2+ - and Mn2+ -rich tourmaline |
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Note: sample mnelb3 |
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Locality: Elba, Italy |
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_database_code_amcsd 0019253 |
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15.951 15.951 7.1380 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 .7714 .666 .0239 .0256 .0256 .0207 .0128 0 0 |
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AlY .87608 .938042 .37180 .589 .00935 .00883 .00629 .01377 .00441 -.00279 -.00139 |
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MnY .87608 .938042 .37180 .411 .00935 .00883 .00629 .01377 .00441 -.00279 -.00139 |
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AlZ .70199 .73879 .38810 .00538 .00527 .00590 .00480 .00267 .00000 .00059 |
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SiT .808130 .810048 .99836 .00493 .00487 .00465 .00527 .00237 -.00031 -.00050 |
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B .89002 .78004 .5443 .0065 .0068 .0049 .0070 .0025 .00048 .0010 |
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F1 0 0 .2193 .57 .0447 .0613 .0613 .0116 .0306 0 0 |
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O1 0 0 .2193 .43 .0447 .0613 .0613 .0116 .0306 0 0 |
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O2 .93850 .87701 .51363 .0180 .0281 .0054 .0130 .0027 .00048 .0010 |
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O3 .73198 .86599 .48923 .01179 .0224 .0107 .0062 .0112 -.0003 -.00016 |
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O4 .90643 .81286 .92846 .00911 .0067 .0136 .0093 .0068 -.00085 -.0017 |
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O5 .81260 .90630 .90659 .00951 .0148 .0071 .0092 .0074 .0009 .00047 |
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O6 .80269 .81281 .22330 .00814 .0086 .0097 .0051 .0038 .0003 -.0001 |
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O7 .71441 .71398 .91919 .00719 .0064 .0065 .0068 .0019 -.0002 -.0011 |
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O8 .79000 .72921 .55792 .00849 .0057 .0111 .0092 .0046 .0009 .0033 |
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H3 .737 .8687 .609 .029 |
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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-tsilaisite |
|
Ertl A, Kolitsch U, Dyar M D, Hughes J M, Rossman G R, Pieczka A, Henry D J, |
|
Pezzotta F, Prowatke S, Lengauer C L, Korner W, Brandstatter F, |
|
Francis C A, Prem M, Tillmanns E |
|
American Mineralogist 97 (2012) 1402-1416 |
|
Limitations of Fe2+ and Mn2+ site occupancy in tourmaline: |
|
Evidence from Fe2+ - and Mn2+ -rich tourmaline |
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Note: sample mnelb3h, heated in air at 750 C for 30 h |
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Locality: Elba, Italy |
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_database_code_amcsd 0019254 |
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15.852 15.852 7.1480 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 .7750 .674 .0237 .0256 .0256 .0200 .0128 0 0 |
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AlY .87639 .938193 .36624 .706 .00820 .01002 .00635 .00944 .00501 -.00381 -.00190 |
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MnY .87639 .938193 .36624 .294 .00820 .01002 .00635 .00944 .00501 -.00381 -.00190 |
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AlZ .703240 .741089 .39232 .935 .00685 .00522 .00904 .00591 .00328 .00004 .00164 |
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MnZ .703240 .741089 .39232 .065 .00685 .00522 .00904 .00591 .00328 .00004 .00164 |
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SiT .808599 .810065 .99750 .00519 .00499 .00479 .00579 .00245 -.00049 -.00053 |
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B .89009 .78019 .54634 .00656 .0058 .0059 .0079 .00297 -.00006 -.0001 |
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F1 0 0 .2363 .14 .0150 .0156 .0156 .0138 .0078 0 0 |
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O1 0 0 .2363 .86 .0150 .0156 .0156 .0138 .0078 0 0 |
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O2 .93913 .87826 .51095 .01150 .0137 .0059 .0124 .00294 .00018 .0004 |
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O3 .74050 .87025 .48491 .01167 .0192 .0099 .0090 .00958 -.0006 -.00029 |
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O4 .90523 .81046 .92215 .00977 .0070 .0145 .0103 .00724 -.00063 -.0013 |
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O5 .81440 .90720 .90727 .01069 .0171 .0080 .0101 .00855 .0023 .00113 |
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O6 .80696 .81508 .22339 .00814 .0081 .0090 .0059 .00321 -.00034 -.00006 |
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O7 .71347 .71388 .92205 .00740 .0066 .0066 .0071 .00178 -.00071 -.00129 |
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O8 .79026 .72920 .56059 .00797 .0052 .0091 .0096 .00357 .00068 .00274 |
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H3 .751 .8757 .622 .085 |
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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-tsilaisite |
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Bosi F, Andreozzi G B, Agrosi G, Scandale E |
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Mineralogical Magazine 79 (2015) 89-101 |
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Fluor-tsilaisite, NaMn3Al6(Si6O18)(BO3)3(OH)3F, a new tourmaline |
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from San Piero in Campo (Elba, Italy) and new data on tsilaisitic |
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tourmaline from the holotype specimen locality |
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Note: Sample CB1b, Standard SREF |
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Locality: Grotta d'Oggi, San Piero in Campo, Elba Island, Italy |
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_database_code_amcsd 0020623 |
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15.9619 15.9691 7.1426 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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Na 0 0 .2257 .614 .0269 .0288 .0288 .0233 .0144 0 0 |
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Ca 0 0 .2257 .0143 .0269 .0288 .0288 .0233 .0144 0 0 |
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K 0 0 .2257 .0046 .0269 .0288 .0288 .0233 .0144 0 0 |
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MnY .12432 .06216 .62286 .481 .01170 .0101 .00757 .0182 .00507 -.00314 -.00157 |
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AlY .12432 .06216 .62286 .395 .01170 .0101 .00757 .0182 .00507 -.00314 -.00157 |
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LiY .12432 .06216 .62286 .1019 .01170 .0101 .00757 .0182 .00507 -.00314 -.00157 |
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TiY .12432 .06216 .62286 .0137 .01170 .0101 .00757 .0182 .00507 -.00314 -.00157 |
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FeY .12432 .06216 .62286 .009 .01170 .0101 .00757 .0182 .00507 -.00314 -.00157 |
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AlZ .29816 .26145 .61080 .969 .00625 .00643 .00703 .0054 .00342 -.00012 .00056 |
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MnZ .29816 .26145 .61080 .031 .00625 .00643 .00703 .0054 .00342 -.00012 .00056 |
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B .11012 .22025 .4541 .0068 .0074 .0057 .0067 .0029 .0000 .0000 |
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Si .19185 .18988 0 .9895 .00476 .00481 .00467 .00484 .00239 -.00017 -.00042 |
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AlT .19185 .18988 0 .0105 .00476 .00481 .00467 .00484 .00239 -.00017 -.00042 |
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O1 0 0 .7780 .6537 .0441 .062 .062 .0083 .0310 0 0 |
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F1 0 0 .7780 .3463 .0441 .062 .062 .0083 .0310 0 0 |
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O2 .06157 .12315 .4827 .0197 .0318 .0054 .0131 .0027 .0003 .0005 |
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O3 .26844 .13422 .5098 .0121 .0249 .0111 .0050 .0124 -.0003 -.0002 |
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H3 .260 .1301 .394 .018 |
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O4 .09366 .18732 .0693 .0084 .0065 .0129 .0081 .0064 -.0007 -.0013 |
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O5 .18713 .09357 .0913 .0088 .0140 .0068 .0080 .0070 .0017 .0008 |
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O6 .19745 .18725 .77534 .00769 .0084 .0096 .0044 .0040 .0002 -.0004 |
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O7 .28527 .28572 .07944 .00650 .0059 .0060 .0056 .0015 -.0001 -.0007 |
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O8 .20999 .27099 .44110 .00816 .0058 .0116 .0082 .0052 .0007 .0029 |
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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-tsilaisite |
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Bosi F, Andreozzi G B, Agrosi G, Scandale E |
|
Mineralogical Magazine 79 (2015) 89-101 |
|
Fluor-tsilaisite, NaMn3Al6(Si6O18)(BO3)3(OH)3F, a new tourmaline |
|
from San Piero in Campo (Elba, Italy) and new data on tsilaisitic |
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tourmaline from the holotype specimen locality |
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Note: Sample CB1b, Split-site SREF |
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Locality: Grotta d'Oggi, San Piero in Campo, Elba Island, Italy |
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_database_code_amcsd 0020624 |
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15.9619 15.9691 7.1426 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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Na 0 0 .2263 .609 .0260 .0277 .0277 .0228 .0138 0 0 |
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Ca 0 0 .2263 .0143 .0260 .0277 .0277 .0228 .0138 0 0 |
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K 0 0 .2263 .0046 .0260 .0277 .0277 .0228 .0138 0 0 |
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MnY .12435 .06218 .62283 .489 .01182 .0101 .00761 .0185 .00507 -.00315 -.00157 |
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AlY .12435 .06218 .62283 .387 .01182 .0101 .00761 .0185 .00507 -.00315 -.00157 |
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LiY .12435 .06218 .62283 .1019 .01182 .0101 .00761 .0185 .00507 -.00315 -.00157 |
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TiY .12435 .06218 .62283 .0137 .01182 .0101 .00761 .0185 .00507 -.00315 -.00157 |
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FeY .12435 .06218 .62283 .009 .01182 .0101 .00761 .0185 .00507 -.00315 -.00157 |
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AlZ .29815 .26144 .61085 .969 .00620 .00649 .00700 .0052 .00346 -.00014 .00057 |
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MnZ .29815 .26144 .61085 .031 .00620 .00649 .00700 .0052 .00346 -.00014 .00057 |
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B .11012 .22024 .4541 .0070 .0077 .0066 .0063 .0033 .0000 .0000 |
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Si .19184 .18987 0 .9895 .00467 .00463 .00463 .00482 .00236 -.00012 -.00042 |
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AlT .19184 .18987 0 .0105 .00467 .00463 .00463 .00482 .00236 -.00012 -.00042 |
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O1 .0199 .00995 .7783 .2179 .0121 |
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F1 .0199 .00995 .7783 .1154 .0121 |
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O2 .07173 .12324 .4828 .5 .0086 |
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O3 .26855 .13428 .5098 .0119 .0244 .0110 .0048 .0122 -.0003 -.0001 |
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H3 .259 .1295 .400 .018 |
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O4 .09362 .18724 .0692 .0083 .0064 .0123 .0082 .0062 -.0006 -.0013 |
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O5 .18711 .09355 .0913 .0087 .0141 .0066 .0079 .0070 .0012 .0006 |
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O6 .19741 .18721 .77540 .00763 .0083 .0097 .0041 .0039 -.0001 -.0006 |
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O7 .28525 .28572 .07943 .00643 .0057 .0058 .0057 .0014 -.0001 -.0008 |
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O8 .20996 .27103 .44122 .00808 .0057 .0117 .0079 .0052 .0008 .0028 |
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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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