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