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