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Kornelite |
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Robinson P D, Fang J H |
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American Mineralogist 58 (1973) 535-539 |
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Crystal structures and mineral chemistry of hydrated ferric sulphates. III. |
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The crystal structure of kornelite |
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Locality: Tintic Standard mine, Dividend, Utah, USA |
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_database_code_amcsd 0000322 |
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14.30 20.12 5.425 90 96.8 90 P2_1/n |
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atom x y z occ Biso |
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Fe1 .8303 .1030 .7970 2.9 |
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Fe2 .3330 .1146 .7724 2.8 |
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S1 .6483 .0357 .9931 1.2 |
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S2 .8989 .2432 .0578 1.3 |
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S3 .1544 .0489 .4280 1.3 |
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O1 .5884 .0575 .170 2.3 |
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O2 .7286 .0819 .003 2.3 |
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O3 .3113 .0311 .941 2.7 |
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O4 .6000 .0333 .738 2.4 |
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O5 .4547 .2310 .375 2.5 |
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O6 .3364 .2051 .632 2.2 |
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O7 .9577 .2173 .269 2.8 |
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O8 .8333 .1906 .947 2.1 |
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O9 .0953 .0477 .628 2.9 |
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O10 .1043 .0755 .198 2.4 |
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O11 .8093 .0190 .610 2.6 |
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O12 .2381 .0918 .496 2.5 |
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Wat1 .4423 .1368 .025 2.4 |
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Wat2 .4277 .0754 .565 1.9 |
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Wat3 .2357 .1522 .972 3.2 |
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Wat4 .7429 .1411 .519 4.4 |
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Wat5 .9216 .0599 .060 2.3 |
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Wat6 .9439 .1256 .629 2.4 |
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Wat7 .147 .256 .329 .50 5.2 |
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Wat8 .644 .245 .300 .75 5.4 |
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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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Kornelite |
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Ackermann S, Lazic B, Armbruster T, Doyle S, Grevel K D, Majzlan J |
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American Mineralogist 94 (2009) 1620-1628 |
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Thermodynamic and crystallographic properties of kornelite [Fe2(SO4)3*~7.75H2O] |
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and paracoquimbite [Fe2(SO4)3*9H2O] |
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Locality: synthetic |
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_database_code_amcsd 0020984 |
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14.3125 20.1235 5.4310 90 96.8133 90 P2_1/n |
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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 .83024 .10292 .29736 .0177 .0192 .0140 .0196 .0007 .0017 -.0014 |
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Fe2 .83302 .38536 .77282 .0170 .0182 .0142 .0182 -.0009 .0008 -.0006 |
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S1 .64829 .03559 .4920 .0168 .0176 .0143 .0183 .0013 .0021 .0014 |
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S2 .89887 .24297 .5567 .0180 .0192 .0125 .0223 -.0003 .0028 .0003 |
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S3 .84574 -.04884 .0716 .0169 .0162 .0164 .0176 .0004 .0007 -.0001 |
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O1 .5879 .05702 .6719 .0274 .028 .032 .0240 .0123 .0112 .0044 |
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O2 .7297 .08181 .5036 .0258 .024 .022 .032 -.0122 .0059 -.0035 |
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O3 .6894 -.03050 .5565 .0299 .038 .022 .032 .0096 .0159 .0115 |
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O4 .6000 .03345 .2411 .0285 .025 .036 .0221 .0054 -.0075 -.0088 |
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O5 .9554 .26888 .3733 .0289 .031 .027 .031 -.0010 .0126 .0091 |
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O6 .8358 .29533 .6342 .0255 .022 .015 .040 .0005 .0074 -.0109 |
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O7 .9580 .21632 -.2315 .0327 .031 .032 .033 .0051 -.0056 .0121 |
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O8 .8330 .19135 .4446 .0287 .021 .020 .046 -.0045 .0069 -.0152 |
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O9 .9048 -.04728 -.1283 .0278 .023 .035 .0278 .0073 .0110 .0107 |
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O10 .8954 -.07560 .3002 .0250 .021 .030 .0225 .0000 -.0034 .0074 |
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O11 .8099 .01883 .1094 .0275 .033 .019 .0291 .0066 -.0030 -.0063 |
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O12 .7622 -.09166 .0074 .0263 .021 .030 .0260 -.0131 -.0042 .0008 |
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O13 .9422 .36298 .0248 .0302 .031 .030 .028 -.0099 -.0055 .0099 |
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O14 .5729 -.07599 -.0664 .0224 .019 .024 .024 .0032 .0013 -.0078 |
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O15 .7619 -.15293 .5259 .0378 .048 .017 .054 .006 .033 .007 |
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O16 .7457 .1413 .0150 .0458 .060 .027 .044 .007 -.024 -.002 |
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O17 .9206 .06040 .5604 .0253 .021 .025 .028 -.0024 -.0030 .0106 |
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O18 .9437 .1251 .1302 .0320 .035 .026 .038 .010 .016 .0122 |
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O19 .8529 -.2552 .203 .46 .064 |
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O20 .8614 -.2523 .072 .24 .064 |
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O21 .8638 -.2473 .837 .40 .064 |
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O22 .8565 -.2589 .6628 .66 .064 |
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H1 .941 .334 .132 .05 |
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H2 .981 .393 .067 .05 |
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H3 .515 -.065 -.137 .05 |
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H4 .593 -.044 .025 .05 |
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H5 .795 -.12 .485 .05 |
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H6 .792 -.187 .546 .05 |
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H7 .717 .114 -.067 .05 |
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H8 .708 .174 .036 .05 |
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H9 .908 .027 .647 .05 |
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H10 .980 .068 .606 .05 |
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H11 .939 .149 .042 .05 |
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H12 .988 .102 .126 .05 |
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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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