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