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Demicheleite-(Br) |
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Demartin F, Gramaccioli C M, Campostrini I, Orlandi P |
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American Mineralogist 93 (2008) 1603-1607 |
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Demicheleite, BiSBr, a new mineral from La Fossa crater, Vulcano, |
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Aeolian Islands, Italy |
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Locality: La Fossa crater, Vulcano, Aeolian Islands, Italy |
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_database_code_amcsd 0004679 |
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8.0424 9.8511 4.0328 90 90 90 Pnam |
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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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Bi .13741 .13177 1/4 .99 .0189 .0191 .0188 .0189 -.0030 0 0 |
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S .8303 .0516 1/4 .97 .0157 .0139 .0170 .0163 .0015 0 0 |
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Br .5133 .8222 1/4 .67 .0224 .0219 .0241 .0211 -.0026 0 0 |
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Cl .5133 .8222 1/4 .35 .0224 .0219 .0241 .0211 -.0026 0 0 |
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I .5133 .8222 1/4 .02 .0224 .0219 .0241 .0211 -.0026 0 0 |
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Demicheleite-(Cl) |
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Demartin F, Gramaccioli C M, Campostrini I |
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American Mineralogist 94 (2009) 1045-1048 |
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Demicheleite-(Cl), BiS,Cl, a new mineral from La Fossa crater, Vulcano, |
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Aeolian Islands, Italy |
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Locality: La Fossa crater, Vulcano, Aeolian Islands, Italy |
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_database_code_amcsd 0004960 |
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7.802 9.930 3.9905 90 90 90 Pnam |
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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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Bi .13874 .13250 .25 .0187 .0202 .0196 .0162 -.0026 0 0 |
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Cl .5176 .8115 .25 .90 .0247 .0247 .0276 .0218 -.0038 0 0 |
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Br .5176 .8115 .25 .10 .0247 .0247 .0276 .0218 -.0038 0 0 |
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S .8226 .0495 .25 .0143 .0162 .0134 .0132 .0014 0 0 |
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Aiolosite |
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Demartin F, Gramaccioli C M, Campostrini I, Pilati T |
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American Mineralogist 95 (2010) 382-385 |
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Aiolosite, Na2(Na2Bi)(SO4)3Cl, a new sulfate isotypic to apatite |
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from La Fossa Crater, Vulcano, Aeolian Islands, Italy |
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Locality: La Fossa Crater, Vulcano Island, Aeolian Archipelago, Sicily Italy |
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_database_code_amcsd 0005030 |
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9.626 9.626 6.880 90 90 120 P6_3/m |
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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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Na1 1/3 2/3 .0067 .0206 .0213 .0213 .0193 .0107 0 0 |
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Na2 .2534 .9990 .25 .712 .0331 .0339 .0225 .0425 .0137 0 0 |
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Bi .2534 .9990 .25 .288 .0331 .0339 .0225 .0425 .0137 0 0 |
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S .4029 .3742 .25 .0201 .0195 .0187 .0219 .0095 0 0 |
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O1 .3320 .4775 .25 .036 .048 .044 .032 .036 0 0 |
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O2 .5776 .4664 .25 .058 .022 .032 .114 .010 0 0 |
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O3 .3543 .2695 .0800 .064 .105 .061 .053 .060 -.046 -.033 |
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Cl 0 0 0 .74 .087 |
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Br 0 0 0 .07 .087 |
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Wat 0 0 .25 .19 .08 .050 .050 .162 .025 0 0 |
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Demartinite |
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Gramaccioli C M, Campostrini I |
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The Canadian Mineralogist 45 (2007) 1275-1280 |
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Demartinite, a new polymorph of K2SiF6 from La Fossa Crater, Vulcano, |
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Aeolian Islands, Italy |
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Locality: La Fossa Crater, Vulcano Island, Aeolian Archipelago, Sicily, Italy |
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_database_code_amcsd 0006157 |
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5.6461 5.6461 9.2322 90 90 120 P6_3mc |
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atom x y z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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K1 2/3 1/3 .09275 .0188 .0188 .0210 .0094 0 0 |
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K2 0 0 .81199 .0244 .0244 .0294 .0122 0 0 |
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Si 1/3 2/3 .97559 .0134 .0134 .0142 .0067 0 0 |
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F1 .61751 .80875 .07798 .0185 .0242 .0248 .0093 -.0079 -.0040 |
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F2 .05287 .52644 .86889 .0184 .0260 .0240 .0092 -.0068 -.0034 |
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Mckelveyite-(Y) |
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Demartin F, Gramaccioli C M, Campostrini I, Diella V |
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The Canadian Mineralogist 46 (2008) 195-203 |
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The crystal structure of mckelveyite-(Y)-2M, a new monoclinic polytype from |
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Val Malenco, Italian Alps |
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Locality: "Cava Fabi," talc quarry near Lanzada, Val Malenco, Lombardy, Italy |
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_database_code_amcsd 0006180 |
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15.8213 9.1364 13.7522 90 112.44 90 Cc |
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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 .1646 -.0834 -.0068 .018 .021 .012 .023 -.000 .010 .001 |
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Ba1 .06707 .07929 .19538 .93 .0089 .0084 .0077 .0111 -.0001 .0043 -.0003 |
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Sr1 .06707 .07929 .19538 .07 .0089 .0084 .0077 .0111 -.0001 .0043 -.0003 |
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Ba2 -.10600 .58255 .19136 .93 .0100 .0101 .0092 .0112 .0003 .0046 -.0007 |
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Sr2 -.10600 .58255 .19136 .07 .0100 .0101 .0092 .0112 .0003 .0046 -.0007 |
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Ba3 .23060 .58870 .18838 .93 .0124 .0112 .0115 .0153 -.0008 .0059 -.0007 |
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Sr3 .23060 .58870 .18838 .07 .0124 .0112 .0115 .0153 -.0008 .0059 -.0007 |
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Ca -.16659 -.08353 -.0044 .83 .0165 .0173 .0167 .0160 .0009 .0070 .0005 |
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NaCa -.16659 -.08353 -.0044 .07 .0165 .0173 .0167 .0160 .0009 .0070 .0005 |
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SrCa -.16659 -.08353 -.0044 .10 .0165 .0173 .0167 .0160 .0009 .0070 .0005 |
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Y 0 .41563 0 .74 .0068 .0061 .0061 .0088 -.0001 .0033 -.0001 |
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CeY 0 .41563 0 .13 .0068 .0061 .0061 .0088 -.0001 .0033 -.0001 |
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CaY 0 .41563 0 .12 .0068 .0061 .0061 .0088 -.0001 .0033 -.0001 |
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C1 .0387 -.2510 .1166 .014 |
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C2 .2053 .2559 .1164 .011 |
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C3 -.1264 .2531 .1174 .012 |
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C4 .0126 .1476 -.0991 .015 |
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C5 .0784 .6198 -.0978 .014 |
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C6 -.1899 .4833 -.0984 .014 |
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O11 -.0320 -.1849 .1164 .014 .009 .013 .022 .008 .006 .001 |
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O12 .1048 -.1844 .1119 .015 .016 .008 .026 -.002 .012 .003 |
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O13 .0425 -.3951 .1288 .012 .015 .005 .019 .002 .009 -.002 |
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O21 .2033 .1135 .1086 .016 .018 .007 .026 -.001 .011 -.003 |
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O22 .1388 .3243 .1265 .011 .007 .011 .015 .005 .002 .004 |
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O23 .2754 .3257 .1208 .013 .013 .007 .022 -.001 .009 .003 |
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O31 -.1253 .1086 .1176 .014 .018 .005 .023 .001 .013 .000 |
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O32 -.0546 .3215 .1242 .010 .013 .006 .013 .000 .007 .002 |
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O33 -.1956 .3197 .1152 .016 .011 .010 .032 .008 .012 .005 |
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O41 .0271 .2765 -.1328 .018 .018 .013 .026 .001 .012 .000 |
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O42 -.0163 .1482 -.0238 .019 .027 .022 .012 .002 .011 -.002 |
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O43 .0263 .0294 -.1399 .020 .026 .017 .021 .001 .012 -.004 |
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O51 .1292 .5399 -.0242 .018 .017 .020 .018 .000 .007 .008 |
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O52 -.0099 .5954 -.1309 .019 .015 .018 .027 .000 .009 .004 |
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O53 .1100 .7210 -.1379 .021 .021 .020 .022 -.004 .010 .005 |
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O61 -.1377 .5629 -.0233 .021 .015 .026 .021 .000 .005 -.006 |
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O62 -.1506 .3792 -.1315 .019 .013 .021 .024 -.001 .009 -.004 |
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O63 -.2764 .5017 -.1385 .022 .011 .025 .026 .003 .004 -.003 |
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Wat1 -.1062 -.1522 -.1350 .020 .018 .021 .022 .004 .009 .001 |
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Wat2 -.2303 .1071 -.1335 .021 .018 .019 .024 .002 .005 .003 |
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Wat3 -.2976 -.2077 -.1330 .021 .016 .024 .022 -.002 .007 -.003 |
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Knasibfite |
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Demartin F, Gramaccioli C M, Campostrini I, Orlandi P |
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The Canadian Mineralogist 46 (2008) 447-453 |
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Knasibfite, K3Na4[SiF6]3[BF4], a new hexafluorosilicate-tetrafluoroborate |
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from La Fossa Crater, Vulcano, Aeolian Islands, Italy |
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Locality: La Fossa Crater, Vulcano, Aeolian Islands, Italy |
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_database_code_amcsd 0006186 |
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5.522 17.106 9.175 90 90 90 Imm2 |
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atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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K1 1/2 .37387 .2826 .0353 .0399 .0283 .0376 0 0 .0088 |
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K2 1/2 0 .4448 .0266 .0273 .0242 .0282 0 0 0 |
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Na1 0 .1714 .3514 .0333 .0375 .0319 .0304 0 0 .0011 |
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Na2 0 .3583 .6039 .0226 .0247 .0195 .0235 0 0 -.0036 |
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Si1 0 0 .2030 .0187 .0172 .0147 .0242 0 0 0 |
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Si2 1/2 .2142 .5193 .0192 .0192 .0182 .0201 0 0 -.0015 |
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F1 0 0 .3864 .0334 .027 .050 .023 0 0 0 |
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F2 0 0 .0242 .0393 .038 .057 .023 0 0 0 |
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F3 .2144 .0697 .2094 .0368 .0312 .0285 .0507 .0153 -.0014 .0035 |
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F4 1/2 .2254 .6987 .0473 .079 .044 .019 0 0 -.009 |
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F5 1/2 .2038 .3369 .0328 .048 .028 .023 0 0 -.005 |
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F6 .7156 .14567 .5318 .0350 .0299 .0298 .0455 .0131 .0043 .0063 |
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F7 .2853 .28234 .5000 .0423 .0410 .0359 .050 .0183 .0111 .0064 |
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F8 .2043 1/2 .2255 .0314 .027 .032 .035 0 .0042 0 |
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F9 0 .4332 .3987 .0412 .053 .034 .036 0 0 .016 |
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B 0 1/2 .3131 .0260 .030 .022 .025 0 0 0 |
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Thermessaite |
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Demartin F, Gramaccioli C M, Campostrini I, Orlandi P |
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The Canadian Mineralogist 46 (2008) 693-700 |
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Thermessaite, K2[AlF3|SO4], a new ino-aluminofluoride-sulfate from La Fossa crater, Vulcano, Aeolian Islands, Italy |
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Locality: La Fossa crater, Vulcano, Aeolian Islands, Italy |
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Note: z-coordinate of S altered |
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_database_code_amcsd 0006194 |
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10.810 8.336 6.822 90 90 90 Pbcn |
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atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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K .69572 .32309 .20090 .0232 .0212 .0237 .0246 .0027 -.0043 -.0082 |
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Al 1/2 0 0 .0102 .0117 .0116 .0074 -.0004 .0002 .0000 |
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F1 .8438 .4474 .4773 .0174 .0128 .0203 .0191 -.0023 -.0015 -.0013 |
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F2 1/2 .0840 1/4 .0155 .0240 .0146 .0077 0 .0010 0 |
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S 0 .18950 .25 .0125 .0165 .0102 .0108 0 .0004 0 |
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O1 -.1002 .0950 .3301 .0245 .0309 .0215 .0211 -.0118 .0012 .0058 |
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O2 -.0528 .2958 .0936 .0146 .0189 .0124 .0125 -.0014 -.0026 .0021 |
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|
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Hephaistosite |
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Campostrini I, Demartin F, Gramaccioli C M, Orlandi P |
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The Canadian Mineralogist 46 (2008) 701-708 |
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Hephaistosite, TlPb2Cl5, a new thallium mineral series from La Fossa Crater, |
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Vulcano, Aeolian Islands, Italy |
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Location: La Fossa Crater, Vulcano, Aeolian Islands, Italy |
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_database_code_amcsd 0006195 |
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8.9477 7.9218 12.4955 90 90.092 90 P2_1/c |
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atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Tl .98934 -.05117 .16638 .0341 .0314 .0340 .0368 .0058 .0030 .0059 |
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Pb1 .49483 -.00984 .17439 .0235 .0250 .0239 .0215 -.0028 .0003 -.0017 |
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Pb2 .75346 .43582 .0062 .0206 .0185 .0223 .0209 .0007 .0011 -.0015 |
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Cl1 .0409 .3220 .0800 .0269 .0170 .0262 .0375 -.0005 .0005 .0156 |
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Cl2 .4574 .3343 .0965 .0210 .0179 .0185 .0266 .0017 -.0003 .0044 |
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Cl3 .2748 .1575 .3118 .0209 .0269 .0206 .0152 .0073 .0073 .0047 |
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Cl4 .7189 .0408 .0016 .0203 .0220 .0207 .0183 .0003 .0006 -.0015 |
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Cl5 .7308 .1875 .2782 .0221 .0245 .0223 .0196 -.0021 -.0001 -.0019 |
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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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Clinometaborite |
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Demartin F, Gramaccioli C M, Campostrini I |
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The Canadian Mineralogist 49 (2011) 1273-1279 |
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Clinometaborite, natural beta-metaboric acid, |
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from La Fossa Crater, Vulcano, Aeolian Islands, Italy |
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Locality: La Fossa Crater, Vulcano, Aeolian Islands, Italy |
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_database_code_amcsd 0018577 |
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7.127 8.842 6.773 90 93.21 90 P2_1/a |
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atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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B1 .23416 -.04313 .83071 .0149 .0221 .0106 .0128 .0004 .0078 .0012 |
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B2 .26124 .21091 .97679 .0142 .0190 .0122 .0117 .0000 .0040 .0000 |
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B3 .40077 .16241 .67183 .0146 .0208 .0116 .0119 .0000 .0046 .0011 |
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O1 .21653 .06075 .99463 .0148 .0242 .0084 .0126 -.0021 .0068 -.0018 |
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O2 .35331 .26191 .81577 .0193 .0322 .0110 .0159 -.0040 .0118 -.0021 |
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O3 .35674 .01313 .68317 .0174 .0279 .0100 .0155 -.0009 .0120 .0006 |
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O4 .28810 -.19372 .87931 .0178 .0299 .0091 .0151 .0025 .0091 .0015 |
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O5 .03355 -.04735 .72342 .0184 .0229 .0157 .0169 -.0010 .0048 -.0037 |
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O6 .49777 .21595 .51815 .0202 .0331 .0115 .0172 .0005 .0131 .0024 |
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H1 .012 -.130 .650 .0540 |
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H2 -.068 -.048 .809 .0680 |
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H3 .534 .136 .443 .0350 |
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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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Panichiite |
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Demartin F, Campostrini I, Gramaccioli C M |
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The Canadian Mineralogist 47 (2009) 367-372 |
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Panichiite, natural ammonium hexachlorostannate(IV), (NH4)2SnCl6, |
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from La Fossa crater, Vulcano, Aeolian Islands, Italy |
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Locality: La Fossa crater, Vulcano, Aeolian Islands, Italy |
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_database_code_amcsd 0006286 |
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10.064 10.064 10.064 90 90 90 Fm3m |
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atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Sn 0 0 0 .02359 .02359 .02359 .02359 0 0 0 |
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Cl 0 .24131 0 .03669 .0443 .0215 .0443 0 0 0 |
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N .25 .25 .25 .0400 .0400 .0400 .0400 0 0 0 |
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H .307 .307 .307 .25 |
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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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Steropesite |
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Demartin F, Gramaccioli C M, Campostrini I |
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The Canadian Mineralogist 47 (2009) 373-380 |
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Steropesite, Tl3BiCl6, a new thallium bismuth chloride from La Fossa crater, Vulcano, Aeolian Islands, Italy |
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Locality: La Fossa crater, Vulcano, Aeolian Islands, Italy |
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_database_code_amcsd 0006287 |
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26.686 15.127 13.014 90 108.11 90 Cc |
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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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Tll -.03318 -.36844 -.48112 .0602 .0463 .0612 .0668 -.0022 .0087 .0125 |
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Tl2 -.16074 -.36256 -.20010 .0572 .0386 .0753 .0549 .0019 .0104 .0127 |
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Tl3 -.05407 .15439 .52552 .0775 .0842 .0958 .0837 .0309 .0393 .0330 |
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Tl4 .33229 -.66856 .25163 .0500 .0387 .0610 .0492 -.0072 .00092 .0011 |
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Tl5 .15839 -.33754 .63392 .0515 .0385 .0491 .0663 .0093 .0152 .0157 |
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Tl6 -.33490 .11361 -.02024 .0597 .0315 .0729 .0690 -.0003 .0072 .0175 |
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Tl7 .05579 -.38652 .23997 .0875 .0540 .1358 .0741 .0099 .0220 .0478 |
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Tl8 .02533 -.10958 -.28359 .0632 .0541 .0735 .0624 -.0106 .0184 -.0186 |
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Tl9 -.34696 .42358 -.53056 .0510 .0396 .0547 .0557 .0002 .0104 -.0050 |
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Tl10 .15184 -.13637 .14403 .0674 .0467 .0626 .0929 -.0148 .0216 -.0173 |
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Tl11 -.16214 .10996 .11014 .0550 .0323 .0588 .0714 .0081 .0127 .0131 |
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Tl12 -.15739 -.58543 -.38805 .0666 .0514 .0589 .0918 -.0154 .0256 -.0370 |
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Bi1 -.00830 -.12480 .36968 .0250 .0260 .0274 .0223 .0044 .0086 .0024 |
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Bi2 .24734 -.37303 .37604 .0238 .0199 .0269 .0236 -.0018 .0054 -.0015 |
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Bi3 .00352 -.37326 -.11938 .0243 .0242 .0279 .0205 -.0011 .0064 -.0015 |
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Bi4 -.25202 .37855 -.13153 .0281 .0210 .0312 .0297 -.0001 .0048 -.0021 |
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Cll -.0495 -.2766 .2645 .887 .049 .061 .032 .054 .004 .017 -.016 |
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Brl -.0495 -.2766 .2645 .093 .049 .061 .032 .054 .004 .017 -.016 |
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Cl2 .0566 -.1091 .2496 .887 .052 .038 .089 .036 .013 .019 .009 |
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Br2 .0566 -.1091 .2496 .093 .052 .038 .089 .036 .013 .019 .009 |
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Cl3 .0362 .0259 .4751 .887 .051 .052 .045 .055 -.004 .014 -.021 |
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Br3 .0362 .0259 .4751 .093 .051 .052 .045 .055 -.004 .014 -.021 |
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Cl4 -.0741 -.1512 .4940 .887 .047 .041 .073 .035 .007 .024 .002 |
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Br4 -.0741 -.1512 .4940 .093 .047 .041 .073 .035 .007 .024 .002 |
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Cl5 -.0797 -.0315 .2079 .887 .055 .035 .071 .054 .018 .007 .028 |
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Br5 -.0797 -.0315 .2079 .093 .055 .035 .071 .054 .018 .007 .028 |
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Cl6 .0626 -.2147 .5197 .887 .057 .044 .063 .066 .029 .022 .038 |
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Br6 .0626 -.2147 .5197 .093 .057 .044 .063 .066 .029 .022 .038 |
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Cl7 .2456 -.2892 .1925 .887 .042 .057 .038 .033 -.002 .015 .009 |
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Br7 .2456 -.2892 .1925 .093 .042 .057 .038 .033 -.002 .015 .009 |
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Cl8 .1624 -.2678 .3816 .887 .049 .053 .036 .061 .014 .020 -.002 |
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Br8 .1624 -.2678 .3816 .093 .049 .053 .036 .061 .014 .020 -.002 |
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Cl9 .2485 -.4548 .5676 .887 .043 .036 .052 .037 -.003 .007 -.002 |
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Br9 .2485 -.4548 .5676 .093 .043 .036 .052 .037 -.003 .007 -.002 |
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Cl10 .3296 -.4767 .3657 .887 .046 .046 .042 .051 .013 .017 -.014 |
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Br10 .3296 -.4767 .3657 .093 .046 .046 .042 .051 .013 .017 -.014 |
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Clll .3274 -.2629 .4941 .887 .041 .039 .043 .036 -.007 .005 -.005 |
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Brll .3274 -.2629 .4941 .093 .041 .039 .043 .036 -.007 .005 -.005 |
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Cl12 .1725 -.4835 .2661 .887 .053 .048 .039 .069 -.013 .015 -.021 |
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Br12 .1725 -.4835 .2661 .093 .053 .048 .039 .069 -.013 .015 -.021 |
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Cl13 -.0561 -.3965 .0096 .887 .048 .045 .061 .041 0003 .020 .008 |
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Br13 -.0561 -.3965 .0096 .093 .048 .045 .061 .041 0003 .020 .008 |
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Cl14 .0647 -.5176 -.0211 .887 .047 .042 .041 .052 -.003 .007 .011 |
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Br14 .0647 -.5176 -.0211 .093 .047 .042 .041 .052 -.003 .007 .011 |
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Cl15 .0650 -.3522 -.2471 .887 .056 .035 .094 .043 .007 .020 -.001 |
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Br15 .0650 -.3522 -.2471 .093 .056 .035 .094 .043 .007 .020 -.001 |
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Cl16 -.0605 -.2329 -.2169 .887 .051 .048 .044 .060 .007 .016 .015 |
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Br16 -.0605 -.2329 -.2169 .093 .051 .048 .044 .060 .007 .016 .015 |
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Cl17 .0684 -.2725 .0408 .887 .050 .058 .044 .045 -.017 .015 -.013 |
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Br17 .0684 -.2725 .0408 .093 .050 .058 .044 .045 -.017 .015 -.013 |
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Cl18 -.0590 -.4767 -.2649 .887 .071 .071 .080 .065 -.016 .028 -.036 |
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Br18 -.0590 -.4767 -.2649 .093 .071 .071 .080 .065 -.016 .028 -.036 |
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Cl19 -.3546 .3652 -.1549 .887 .016 .017 .151 .280 .000 .015 -.098 |
|
Br19 -.3546 .3652 -.1549 .093 .016 .017 .151 .280 .000 .015 -.098 |
|
Cl20 -.2389 .4212 .0757 .887 .066 .094 .064 .038 -.013 .017 .007 |
|
Br20 -.2389 .4212 .0757 .093 .066 .094 .064 .038 -.013 .017 .007 |
|
Cl21 -.1497 .4086 -.1122 .887 .064 .026 .070 .091 -.003 .014 .013 |
|
Br21 -.1497 .4086 -.1122 .093 .064 .026 .070 .091 -.003 .014 .013 |
|
Cl22 -.2622 .3312 -.3408 .887 .054 .070 .058 .030 .003 .010 .008 |
|
Br22 -.2622 .3312 -.3408 .093 .054 .070 .058 .030 .003 .010 .008 |
|
Cl23 -.2618 .5571 -.1552 .887 .Q74 .097 .058 .078 .020 .044 .018 |
|
Br23 -.2618 .5571 -.1552 .093 .Q74 .097 .058 .078 .020 .044 .018 |
|
Cl24 -.2437 .2002 -.1012 .887 .055 .082 .037 .059 .010 .042 .012 |
|
Br24 -.2437 .2002 -.1012 .093 .055 .082 .037 .059 .010 .042 .012 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Brontesite |
 |
Demartin F, Gramaccioli C M, Campostrini I |
| |
The Canadian Mineralogist 47 (2009) 1237-1243 |
|
Brontesite, (NH4)3PbCl5, a new product of fumarolic activity from La Fossa Crater, |
|
Vulcano, Aeolian Islands, Italy |
|
Locality: La Fossa Crater, Vulcano, Aeolian Islands, Italy |
|
_database_code_amcsd 0006299 |
|
8.4351 15.7732 8.4446 90 90 90 Pnma |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Pb .08521 .25 .84823 .94 .02880 .02789 .02904 .02946 0 -.00501 0 |
|
N .08521 .25 .84823 .08 .02880 .02789 .02904 .02946 0 -.00501 0 |
|
N1 -.5706 .25 .1515 .90 .0345 .0333 .0354 .0346 0 -.0050 0 |
|
Pb1 -.5706 .25 .1515 .11 .0345 .0333 .0354 .0346 0 -.0050 0 |
|
N2 -.2369 .4519 .0375 .96 .0483 .0548 .0348 .0553 .0037 .0117 .0102 |
|
Pb2 -.2369 .4519 .0375 .02 .0483 .0548 .0348 .0553 .0037 .0117 .0102 |
|
Cl1 -.05060 .11727 .67683 .93 .0436 .0472 .0448 .0389 -.0175 .0044 -.0124 |
|
Br1 -.05060 .11727 .67683 .12 .0436 .0472 .0448 .0389 -.0175 .0044 -.0124 |
|
Cl2 .11853 .37741 .12905 .0354 .0385 .0306 .0371 -.0036 -.0012 .0013 |
|
Cl3 -.21660 .25 .97949 .0324 .0285 .0317 .0368 0 .0028 0 |
|
H11 -.5012 .25 .2475 .14 |
|
H12 -.4951 .25 .0567 .13 |
|
H13 -.6172 .3112 .1365 .13 |
|
H21 -.2801 .4504 .1488 .13 |
|
H22 -.1321 .4247 .0305 .15 |
|
H23 -.2443 .5082 .9884 .11 |
|
H24 -.3191 .4129 .9728 .23 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Pyracmonite |
| |
Demartin F, Gramaccioli C M, Campostrini I |
| |
The Canadian Mineralogist 48 (2010) 307-313 |
|
Pyracmonite, (NH4)3Fe(SO4)3, a new ammonium iron sulfate |
|
from La Fossa crater, Vulcano, Aeolian Islands, Italy |
|
Locality: La Fossa crater, Vulcano, Aeolian Islands, Italy |
|
_database_code_amcsd 0006332 |
|
15.2171 15.2171 8.9323 90 90 120 R3c |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
N .07773 .30174 .24189 .867 .0322 .0315 .0324 .0330 .0163 -.0011 .0048 |
|
K .07773 .30174 .24189 .133 .0322 .0315 .0324 .0330 .0163 -.0011 .0048 |
|
H1 .031 .307 .264 .867 .059 |
|
H2 .113 .342 .169 .867 .047 |
|
H3 .066 .244 .207 .867 .077 |
|
H4 .112 .332 .323 .867 .091 |
|
Fe 0 0 .13800 .893 .01631 .01909 .01909 .0107 .00954 0 0 |
|
Al 0 0 .13800 .107 .01631 .01909 .01909 .0107 .00954 0 0 |
|
S .16913 .14291 .38360 .02027 .01528 .02044 .0189 .00431 .0006 -.0021 |
|
O1 .1198 .0934 .5215 .0585 .0390 .0803 .0184 .0013 .0043 .0180 |
|
O2 .09084 .11849 .2668 .0299 .0384 .0252 .0216 .0126 -.0095 -.0034 |
|
O3 .2218 .2516 .4072 .0693 .0732 .0238 .0685 -.0075 -.0324 -.016 |
|
O4 .2384 .1128 .3339 .0730 .0513 .1238 .0721 .0650 -.0266 -.0514 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Adranosite |
| |
Demartin F, Gramaccioli C M, Campostrini I |
| |
The Canadian Mineralogist 48 (2010) 315-321 |
|
Adranosite, (NH4)4NaAl2(SO4)4Cl(OH)2, a new ammonium sulfate chloride |
|
from La Fossa Crater, Vulcano, Aeolian Islands, Italy |
|
Locality: La Fossa Crater, Vulcano, Aeolian Islands, Italy |
|
_database_code_amcsd 0006333 |
|
18.118 18.118 11.320 90 90 90 *I4_1/acd |
|
0 -.25 .125 |
|
atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Na .5 .25 .125 .0164 .0142 .0142 .0209 0 0 0 |
|
Al .30294 .55294 1/8 .0147 .0156 .0156 .0127 -.0004 .0007 .0007 |
|
S .37582 .39982 .13783 .0167 .0188 .0177 .0136 .0028 .0006 -.0013 |
|
Cl .5 .25 .375 .0309 .0320 .0320 .0286 .0016 0 0 |
|
N .32267 .23391 .3765 .0269 .0361 .0217 .0229 .0079 .0071 .0012 |
|
O1 .37981 .48138 .11043 .0185 .0189 .0150 .0216 .0007 .0040 .0031 |
|
O2 .31502 .36716 .07200 .0295 .0332 .0276 .0276 -.0022 -.0130 -.0077 |
|
O3 .36366 .39176 .26733 .0191 .0224 .0207 .0143 .0039 .0050 .0026 |
|
O4 .44711 .36856 .10786 .0280 .0265 .0276 .0300 .0125 .0124 .0054 |
|
O5 .26221 .5 .25 .0157 .0143 .0161 .0165 0 0 .0046 |
|
H1 .3013 .2837 .3907 .100 |
|
H2 .3677 .2362 .3278 .142 |
|
H3 .3311 .2075 .4526 .129 |
|
H4 .2835 .2044 .3307 .185 |
|
H5 .2127 .5 .25 .028 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Coquimbite |
 |
Demartin F, Castellano C, Gramaccioli C M, Campostrini I |
| |
The Canadian Mineralogist 48 (2010) 323-333 |
|
Aluminum-for-iron substitution, hydrogen bonding, |
|
and a novel structure-type in coquimbite-like minerals |
|
Locality: La Alcaparrosa, Chile |
|
_database_code_amcsd 0006334 |
|
10.9370 10.9370 17.0813 90 90 120 P-31c |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Al1 0 0 0 .761 .01350 .01171 .01171 .01707 .00586 0 0 |
|
Fe1 0 0 0 .239 .01350 .01171 .01171 .01707 .00586 0 0 |
|
Fe2 1/3 2/3 .25 .01147 .01087 .01087 .01265 .00544 0 0 |
|
Fe3 2/3 1/3 .002498 .01703 .01800 .01800 .01508 .00900 0 0 |
|
S .244809 .415175 .123067 .01412 .01402 .01139 .01586 .00554 -.00059 -.00226 |
|
O1 .31847 .34563 .09110 .02376 .02056 .01930 .0325 .01076 -.00008 -.00920 |
|
O2 .10858 .31136 .15507 .02223 .01748 .01813 .0239 .00352 .00309 .00037 |
|
O3 .21976 .49418 .06020 .02146 .02232 .01950 .01972 .00832 -.00414 .00171 |
|
O4 .33579 .51624 .18451 .01732 .01841 .01524 .01858 .00861 -.00413 -.00573 |
|
OW1 .16668 .07066 .06225 .02367 .02285 .01619 .0306 .00870 -.00893 -.00207 |
|
OW2 .44922 .11635 .20994 .03175 .0313 .0268 .0314 .01032 .00318 -.00226 |
|
OW3 .57200 .16221 .07123 .02949 .03932 .02753 .0273 .02098 .01408 .01067 |
|
H11 .1851 .0205 .0924 .085 |
|
H12 .2264 .1545 .0760 .073 |
|
H21 .3722 .0384 .2091 .040 |
|
H22a .5068 .1020 .2363 .50 .044 |
|
H22b .4342 .1729 .2362 .50 .034 |
|
H31 .5930 .0987 .0751 .060 |
|
H32 .5317 .1528 .1142 .041 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Coquimbite |
 |
Demartin F, Castellano C, Gramaccioli C M, Campostrini I |
| |
The Canadian Mineralogist 48 (2010) 323-333 |
|
Aluminum-for-iron substitution, hydrogen bonding, |
|
and a novel structure-type in coquimbite-like minerals |
|
Locality: the Dexter No. 7 mine, Calf Mesa, San Rafael Swell, Utah, USA |
|
_database_code_amcsd 0006335 |
|
10.9170 10.9170 17.0829 90 90 120 P-31c |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Al1 0 0 0 .01316 .01100 .01100 .0175 .00550 0 0 |
|
Fe2 1/3 2/3 1/4 .01144 .01042 .01042 .01348 .00521 0 0 |
|
Fe3 2/3 1/3 .002517 .01706 .01755 .01755 .01608 .00877 0 0 |
|
S .244517 .414763 .122984 .01394 .01348 .01082 .01620 .00508 -.00077 -.00228 |
|
O1 .31821 .34525 .09071 .02331 .0195 .0187 .0328 .01033 -.0003 -.0094 |
|
O2 .10820 .31058 .15487 .02144 .0170 .0170 .0235 .00338 .0030 -.0002 |
|
O3 .21931 .49404 .06011 .02054 .0219 .0182 .0189 .00809 -.0036 .0013 |
|
O4 .33546 .51568 .18451 .01702 .0182 .0150 .0181 .00852 -.0042 -.00564 |
|
OW1 .16438 .06998 .06151 .02145 .0201 .0150 .0278 .00764 -.0087 -.0017 |
|
OW2 .44923 .11635 .20975 .0308 .0290 .0259 .0317 .0094 .0029 -.0030 |
|
OW3 .57172 .16237 .07102 .02932 .0388 .0275 .0275 .02090 .0137 .0098 |
|
H11 .1831 .0150 .0869 .063 |
|
H12 .2194 .1551 .0745 .050 |
|
H21 .3735 .0379 .2063 .040 |
|
H22a .5162 .1104 .2314 .5 .056 |
|
H22b .4202 .1623 .2356 .5 .075 |
|
H31 .5968 .1011 .0728 .055 |
|
H32 .5318 .1471 .1152 .063 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Coquimbite |
 |
Demartin F, Castellano C, Gramaccioli C M, Campostrini I |
| |
The Canadian Mineralogist 48 (2010) 323-333 |
|
Aluminum-for-iron substitution, hydrogen bonding, |
|
and a novel structure-type in coquimbite-like minerals |
|
Note: sample vulc1 |
|
Locality: Alum Grotto, Vulcano, Aeolian Islands, Sicily, Italy |
|
_database_code_amcsd 0006336 |
|
10.9100 10.9100 17.0625 90 90 120 P-31c |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Al1 0 0 0 .01276 .01039 .01039 .0175 .00520 0 0 |
|
Fe2 1/3 2/3 .25 .01068 .00999 .00999 .01206 .00500 0 0 |
|
Fe3 2/3 1/3 .002502 .01723 .01792 .01792 .01584 .00896 0 0 |
|
S .244618 .414813 .122883 .01328 .01313 .01027 .01524 .00495 -.00073 .0241 |
|
O1 .31831 .34528 .09069 .02288 .0198 .0181 .0321 .01051 -.0001 -.0099 |
|
O2 .10784 .31042 .15472 .02127 .0165 .0175 .0230 .00328 .0032 -.0003 |
|
O3 .21952 .49428 .06010 .02057 .0212 .0194 .0183 .00812 -.0044 .0012 |
|
O4 .33561 .51557 .18440 .01649 .0180 .0146 .0179 .00896 -.0040 -.0055 |
|
OW1 .16433 .06986 .06158 .02104 .0198 .0141 .0280 .00756 -.0084 -.0016 |
|
OW2 .44934 .11625 .20976 .0307 .0292 .0263 .0308 .0095 .0034 -.0022 |
|
OW3 .57197 .16249 .07096 .02909 .0386 .0275 .0276 .02129 .0136 .0100 |
|
H11 .1828 .0143 .0866 .063 |
|
H12 .2182 .1551 .0749 .058 |
|
H21 .3721 .0379 .2081 .042 |
|
H22a .5170 .1125 .2319 .5 .041 |
|
H22b .4203 .1621 .2362 .5 .090 |
|
H31 .5964 .1003 .0732 .052 |
|
H32 .5298 .1448 .1145 .067 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Aluminocoquimbite |
| |
Demartin F, Castellano C, Gramaccioli C M, Campostrini I |
| |
The Canadian Mineralogist 48 (2010) 323-333 |
|
Aluminum-for-iron substitution, hydrogen bonding, |
|
and a novel structure-type in coquimbite-like minerals |
|
Note: sample vulc2 |
|
Locality: Alum Grotto, Vulcano, Aeolian Islands, Sicily, Italy |
|
_database_code_amcsd 0006337 |
|
10.7065 10.7065 17.3077 90 90 120 P-31c |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Fe1 0 0 0 .01458 .01610 .01610 .0115 .00805 0 0 |
|
Fe2 0 0 .25 .01099 .01102 .01102 .01092 .00551 0 0 |
|
Al3 2/3 1/3 -.00824 .01503 .0127 .0127 .0196 .00636 0 0 |
|
S .25531 .16880 .124832 .01293 .01124 .01361 .01375 .00607 .00157 .00182 |
|
O1 .17500 .06030 .06406 .0191 .0186 .0233 .0161 .0110 -.0024 -.0042 |
|
O2 .36509 .14054 .15622 .0203 .0175 .0252 .0217 .0132 -.0015 .0023 |
|
O3 .32365 .31459 .09212 .0220 .0188 .0174 .0297 .0091 .0088 .0099 |
|
O4 .15347 .15841 .18631 .01637 .0153 .0158 .0161 .0062 .0050 .0010 |
|
OW1 .56588 .16639 .05370 .0214 .0192 .0197 .0279 .0118 .0062 .0075 |
|
OW2 .45162 .33483 .79333 .0299 .0246 .0331 .0326 .0147 .0019 .0042 |
|
OW3 .50030 .26571 -.06857 .0230 .0190 .0182 .0276 .0062 -.0064 .0010 |
|
H11 .508 .159 .0888 .049 |
|
H12 .610 .121 .0659 .051 |
|
H21 .378 .345 .7951 .055 |
|
H22a .511 .403 .765 .5 .039 |
|
H22b .438 .266 .765 .5 .043 |
|
H31 .491 .295 -.1129 .051 |
|
H32 .435 .1770 -.0672 .070 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Marrucciite |
| |
Orlandi P, Moelo Y, Campostrini I, Meerschaut A |
| |
European Journal of Mineralogy 19 (2007) 267-279 |
|
Lead-antimony sulfosalts from Tuscany (Italy). IX. Marrucciite, |
|
Hg3Pb16Sb18S46,a new sulfosalt from Buca della Vena mine, Apuan Alps: |
|
definition and crystal structure |
|
Locality: Buca della Vena mine, Apuan Alps, Tuscany, Italy |
|
_database_code_amcsd 0007219 |
|
48.32 4.1170 24.056 90 118.84 90 C2/m |
|
atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
|
Hg1 0 0 .5 .0242 .0272 .0279 .0170 0 .0103 0 |
|
Hg2 -.12993 .5 .56857 .0316 .0452 .0353 .0259 0 .0265 0 |
|
Pb1 -.02600 .5 .61767 .0233 .0301 .0222 .0249 0 .0190 0 |
|
Pb2 .06881 .5 .65812 .0233 .0324 .0142 .0243 0 .0144 0 |
|
Pb3 -.18617 0 .37752 .0250 .0223 .0232 .0287 0 .0118 0 |
|
Pb4 .21497 .5 .26235 .0247 .0261 .0192 .0228 0 .0071 0 |
|
Pb5 .11942 .5 .85218 .0201 .024 .0168 .0216 0 .0126 0 |
|
Pb6 .16059 .5 .05133 .0239 .0372 .0159 .0247 0 .0198 0 |
|
Pb7 .11078 .5 .16352 .0225 .023 .0208 .0294 0 .0171 0 |
|
Pb8 -.0545 .5 .7468 .63 .021 .020 .0226 .028 0 .016 0 |
|
Sb8 -.0458 .5 .7568 .37 .021 .020 .0226 .028 0 .016 0 |
|
Pb9 .0342 0 .8194 .41 .028 .019 .0335 .047 0 .028 0 |
|
Sb9 .0377 0 .8090 .59 .028 .019 .0335 .047 0 .028 0 |
|
Sb1 -.0960 .0818 .46646 .5 .020 .0176 .024 .0175 -.0009 .0086 -.0015 |
|
Sb2 -.23449 .5 .44876 .0295 .048 .0184 .042 0 .038 0 |
|
Sb3 .17107 0 .35666 .0241 .040 .0167 .0168 0 .0150 0 |
|
Sb4 .33929 .5 .24036 .0225 .0250 .0265 .0218 0 .0160 0 |
|
Sb5 .20481 0 -.0425 .0322 .0187 .0186 .059 0 .0184 0 |
|
Sb6 .24964 0 .15138 .0230 .0199 .0306 .0223 0 .0133 0 |
|
Sb7 .07073 .044 -.0138 .5 .029 .0141 .039 .0269 .012 .0048 -.001 |
|
Sb10 -.02174 .038 .9141 .5 .036 .032 .033 .026 .003 .0009 .011 |
|
S1 .0190 0 .6107 .015 |
|
S2 -.0555 .5 .4805 .014 |
|
S3 -.0771 0 .5801 .022 |
|
S4 -.1931 0 .4880 .024 |
|
S5 .2167 .555 .3926 .5 .022 |
|
S6 -.1278 .551 .6701 .5 .025 |
|
S7 -.1386 .5 .4629 .019 |
|
S8 -.2349 .5 .3455 .020 |
|
S9 .1639 0 .2487 .016 |
|
S10 .3560 .049 .3201 .5 .027 |
|
S11 .1832 .554 .8635 .5 .033 |
|
S12 .2255 .564 .0483 .5 .022 |
|
S13 .2707 .5 .2305 .023 |
|
S14 .3913 .5 .2426 .018 |
|
S15 .1532 0 -.0448 .020 |
|
S16 .1996 0 .1554 .016 |
|
S17 .0479 .5 .7570 .023 |
|
S18 .0010 .5 .8633 .023 |
|
S19 -.0472 .542 -.0456 .5 .020 |
|
S20 .0910 .534 -.0556 .5 .021 |
|
S21 -.0203 0 .7225 .023 |
|
S22 -.0711 0 .8130 .016 |
|
S23 .1198 0 .0861 .017 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Sarrabusite |
| |
Gemmi M, Campostrini I, Demartin F, Gorelik T E, Gamaccioli C M |
 |
Acta Crystallographica B68 (2012) 15-23 |
|
Structure of the new mineral sarrabusite, Pb5CuCl4(SeO3)4, |
|
solved by manual electron-diffraction tomography |
|
Note: Manual data, this is the prefered structure |
|
Locality: Baccu Locci mine, near Villaputzu, Sardinia, Italy |
|
_database_code_amcsd 0018632 |
|
24.917 5.506 14.242 90 101.77 90 C2/c |
|
atom x y z Uiso |
|
Pb1 .1059 .0639 .1742 .031 |
|
Pb2 .2686 .0123 .3721 .031 |
|
Pb3 0 .562 .25 .031 |
|
Se1 .1626 1.508 .3293 .019 |
|
Se2 .0461 .003 .4147 .019 |
|
Cu1 0 .5 .5 .020 |
|
Cl1 .2971 .490 .456 .037 |
|
Cl2 .1203 .507 .534 .037 |
|
O1 .1810 .730 .270 .019 |
|
O2 .0641 .932 .309 .019 |
|
O3 .1886 .247 .285 .019 |
|
O4 .0067 .263 .382 .019 |
|
O5 -.0173 .807 .404 .019 |
|
O6 .1033 .430 .254 .019 |
|
|
| Download AMC data (View Text File) Download CIF data (View Text File) Download diffraction data (View Text File) View JMOL 3-D Structure
|
|   |
|
Sarrabusite |
| |
Gemmi M, Campostrini I, Demartin F, Gorelik T E, Gamaccioli C M |
 |
Acta Crystallographica B68 (2012) 15-23 |
|
Structure of the new mineral sarrabusite, Pb5CuCl4(SeO3)4, |
|
solved by manual electron-diffraction tomography |
|
Note: Automated data |
|
Locality: Baccu Locci mine, near Villaputzu, Sardinia, Italy |
|
_database_code_amcsd 0018633 |
|
24.917 5.506 14.242 90 101.77 90 C2/c |
|
atom x y z Uiso |
|
Pb1 .1079 .0627 .1731 .0333 |
|
Pb2 .2680 .0103 .3680 .0333 |
|
Pb3 0 .5542 .25 .0333 |
|
Se1 .1649 .4985 .3261 .027 |
|
Se2 .0445 .0084 .4093 .027 |
|
Cu 0 .5 .5 .036 |
|
Cl1 .2931 .495 .4599 .035 |
|
Cl2 .1017 .499 .5323 .035 |
|
O1 .1859 .748 .2764 .026 |
|
O2 .0681 .888 .3061 .026 |
|
O3 .1944 .252 .2709 .026 |
|
O4 .0022 .253 .3816 .026 |
|
O5 -.0129 .788 .4094 .026 |
|
O6 .0995 .404 .2716 .026 |
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Cossaite |
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Demartin F, Gramaccioli C M, Campostrini I, Castellano C |
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Mineralogical Magazine 75 (2011) 2847-2855 |
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Cossaite, (Mg0.5,_)Al6(SO4)6(HSO4)F6*36H2O, a new mineral |
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from La Fossa crater, Vulcano, Aeolian Islands, Italy |
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Locality: La Fossa crater, Vulcano, Aeolian Islands, Italy |
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Note: H atom in HSO4 group was not located |
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_database_code_amcsd 0018525 |
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22.010 22.010 9.238 90 90 120 R-3 |
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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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Mg 1/3 2/3 7/6 .5 .0840 .0455 .0455 .161 .0228 0 0 |
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Al .37501 .87307 .35346 .01662 .0141 .0188 .0161 .0075 -.0001 .0005 |
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S1 .21195 .95870 .16739 .01769 .0189 .0191 .0168 .0108 -.0022 -.0014 |
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S2 1/3 2/3 .69198 .5 .0211 .0195 .0195 .0241 .0098 0 0 |
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O1 .14732 .95419 .22260 .0351 .0236 .0408 .0463 .0202 -.0024 -.0154 |
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O2 .24997 .02178 .07647 .0380 .0471 .0205 .0273 .0026 -.0099 .0042 |
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O3 .19434 .89589 .08023 .0250 .0372 .0232 .0190 .0185 .0017 -.0032 |
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O4 .25714 .96364 .28903 .0287 .0318 .0483 .0164 .0279 -.0056 -.0053 |
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O5 1/3 2/3 .8511 .5 .0560 .0667 .0667 .0344 .0334 0 0 |
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O6 .30686 .71231 .6401 .5 .0349 .0359 .0337 .0431 .0233 .0044 .0063 |
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F .32848 .79736 .24892 .0319 .0272 .0239 .0378 .0078 .0023 -.0094 |
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Ow1 .45582 .90169 .23929 .0263 .0207 .0250 .0290 .0082 .0092 -.0016 |
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Ow2 .34841 .92446 .23172 .0272 .0369 .0428 .0160 .0304 .0021 .0043 |
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Ow3 .42288 .95598 .46392 .0241 .0280 .0224 .0163 .0085 -.0021 -.0017 |
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Ow4 .40817 .82981 .48384 .0368 .0262 .0502 .0410 .0242 .0059 .0229 |
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Ow5 .29490 .84390 .47033 .0258 .0178 .0326 .0215 .0086 .0052 .0006 |
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Wat6 .34139 .74857 .0290 .0382 .0480 .0469 .0315 .0326 -.0096 -.0120 |
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H1a .4606 .8681 .1844 .067 |
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H1b .4992 .9437 .241 .063 |
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H2a .3579 .9368 .1326 .106 |
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H2b .3107 .9327 .247 .095 |
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H3a .4316 .9653 .5639 .060 |
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H3b .4218 .9988 .454 .073 |
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H4a .3722 .7927 .5360 .110 |
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H4b .4516 .8311 .474 .121 |
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H5a .2577 .7973 .461 .054 |
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H5b .2925 .8632 .5596 .057 |
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