Melanterite Fronczek F R, Collins S N, Chan J Y Acta Crystallographica E57 (2001) i26-i27 Refinement of ferrous sulfate heptahydrate (melanterite) with low-temperature CCD data Note: T = 120 K Locality: synthetic _database_code_amcsd 0010353 13.9969 6.4803 11.0211 90 105.5959 90 P2_1/c atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) Fe1 0 .5 .5 .01048 .01138 .01003 .01074 .00081 .00421 .00047 Fe2 .5 .5 0 .01082 .01027 .01242 .00948 -.00049 .00216 -.00016 S1 .225907 .47057 .17436 .00979 .00908 .01007 .01016 -.00007 .00246 -.00041 O1 .20391 .46976 .03470 .01296 .0138 .0148 .0104 -.0019 .0033 -.0015 O2 .13563 .53433 .21052 .01308 .0120 .0146 .0139 .0024 .0057 .0016 O3 .30711 .61746 .22568 .01529 .0131 .0163 .0161 -.0040 .0032 -.0049 O4 .25504 .26083 .22414 .01460 .0150 .0113 .0167 .0024 .0028 .0020 O1W .11878 .39585 .43692 .0220 .0270 .0233 .0205 .0136 .0146 .0112 H11 .1457 .284 .4568 .035 H12 .1220 .439 .369 .036 O2W -.09794 .45678 .31502 .01677 .0174 .0137 .0172 .0001 .0014 -.0011 H22 -.1139 .332 .2951 .042 H24 -.1478 .529 .295 .036 O3W .02900 .79563 .43354 .01622 .0148 .0120 .0191 -.0013 -.0001 .0035 H31 .0790 .876 .4570 .028 H32 -.0120 .874 .383 .042 O4W .47869 .45429 .17987 .01569 .0141 .0217 .0111 .0004 .0031 .0003 H41 .4297 .511 .193 .033 H47 .5233 .460 .243 .031 O5W .56928 .78270 .06196 .01697 .0186 .0176 .0134 -.0043 .0022 .0000 H54 .6209 .784 .129 .036 H57 .5860 .847 .010 .045 O6W .64607 .35354 .05669 .01744 .0132 .0203 .0181 -.0007 .0029 .0072 H61 .6967 .414 .0416 .033 H63 .6655 .280 .129 .047 O7W .36626 .00643 .11265 .01654 .0177 .0130 .0182 -.0004 .0036 -.0011 H74 .3234 .070 .134 .039 H76 .3428 -.107 .0893 .041