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Therasiaite |
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Demartin F, Castellano C, Campostrini I |
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Mineralogical Magazine 78 (2014) 203-213 |
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Therasiaite, (NH4)3KNa2Fe2+Fe3+(SO4)3Cl5, a new sulfate chloride |
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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 0020043 |
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18.284 12.073 9.535 90 108.10 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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Fe1 .61710 .24642 .30691 .01405 .01113 .0145 .0172 -.00246 .00536 -.00070 |
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Fe2 .78831 .16054 .13411 .01475 .0169 .0128 .0152 -.00146 .00578 -.00209 |
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S1 .47523 .07746 .31396 .01514 .0108 .0204 .0138 -.0039 .0031 .0018 |
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S2 .76294 .40549 .28569 .01261 .0113 .0093 .0177 -.0016 .0051 -.0001 |
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S3 .77323 .09989 .46880 .01358 .0183 .0104 .0124 .0026 .0054 .0017 |
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O1 .53705 .1328 .2652 .0272 .0256 .0334 .0284 -.0194 .0170 -.0120 |
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O2 .4079 .1480 .2522 .70 .0559 .020 .065 .080 .021 .011 .038 |
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O3 .4931 .0760 .4714 .70 .0320 .035 .054 .0091 -.022 .0088 -.0037 |
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O4 .4662 -.0346 .2548 .70 .0456 .072 .029 .049 -.033 .038 -.025 |
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O2' .4038 .0790 .1987 .30 .033 |
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O3' .4691 .1313 .441 .30 .070 |
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O4' .5021 -.0326 .328 .30 .084 |
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O5 .70649 .3489 .3467 .0186 .0180 .0189 .0206 -.0069 .0087 -.0006 |
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O6 .80393 .3215 .2249 .0227 .0198 .0217 .0304 -.0018 .0135 -.0104 |
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O7 .81787 .4604 .4110 .0228 .0183 .0187 .0311 -.0070 .0070 -.0123 |
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O8 .72171 .4824 .1702 .0301 .0285 .0226 .0351 .0024 .0041 .0181 |
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O9 .68928 .1269 .4232 .0228 .0182 .0240 .0270 .0033 .0082 .0079 |
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O10 .79577 .0777 .3360 .0306 .0388 .0400 .0173 .0173 .0150 .0066 |
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O11 .81836 .1890 .5545 .0306 .0288 .0229 .0326 .0008 -.0014 -.0085 |
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O12 .7838 -.0009 .5568 .0361 .0471 .0196 .0390 .0059 .0098 .0175 |
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Cl1 .93292 .16126 .19391 .02456 .0175 .0283 .0282 .0027 .0075 -.0037 |
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Cl2 .64268 .17794 .08040 .01930 .0165 .0249 .0174 -.0007 .0066 -.0002 |
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Cl3 .59703 .31622 .51999 .02348 .0263 .0255 .0214 -.0031 .0114 -.0068 |
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Cl4 .76610 .24305 -.11708 .02282 .0233 .0274 .0186 -.0007 .0076 .0035 |
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Cl5 .53540 .38191 .15459 .02331 .0194 .0218 .0264 .0037 .0038 .0008 |
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Na1 .77669 .35490 .62489 .0242 .0283 .0212 .0243 .0031 .0102 -.0028 |
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Na2 .88338 .38624 .05359 .0285 .0268 .0262 .0310 -.0038 .0070 .0064 |
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N1 .62181 .4170 -.1233 .738 .0544 .0537 .0499 .060 .0035 .0177 .0058 |
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H1 .62181 .4170 -.1233 2.952 .0544 .0537 .0499 .060 .0035 .0177 .0058 |
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K1 .62181 .4170 -.1233 .262 .0544 .0537 .0499 .060 .0035 .0177 .0058 |
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N2 .62577 .0736 .7045 .839 .0370 .0381 .0240 .0415 -.0065 .0016 .0053 |
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H2 .62577 .0736 .7045 3.356 .0370 .0381 .0240 .0415 -.0065 .0016 .0053 |
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K2 .62577 .0736 .7045 .161 .0370 .0381 .0240 .0415 -.0065 .0016 .0053 |
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N3 .91055 -.0961 .3440 .677 .0451 .0410 .0486 .0492 .0047 .0192 .0064 |
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H3 .91055 -.0961 .3440 2.708 .0451 .0410 .0486 .0492 .0047 .0192 .0064 |
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K3 .91055 -.0961 .3440 .323 .0451 .0410 .0486 .0492 .0047 .0192 .0064 |
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K4 .94411 .31507 .46801 .0336 .0306 .0398 .0268 .0090 .0035 -.0015 |
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