Romerite Westland R E Master's Thesis, Queen's University 2012 (2012) 1-161 New phases in the hydrous ferric sulfate system, a supporting argument that the mineral lausenite is of formula Fe2(SO4)3*5H2O and the crystal structure refinement and hydrogen bonding scheme of the minerals quenstedtite and romerite Locality: Alcaparossa, Chile _database_code_amcsd 0021046 6.4274 15.2490 6.3464 89.72 100.79 85.96 P-1 atom x y z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) Fe(1) 0 0 0 .016 .016 .016 .015 .002 .003 -.001 Fe(2) .3414 .3197 .5970 .011 .010 .013 .011 .000 .002 -.001 S(1) .5952 .1674 .3652 .013 .011 .014 .012 .001 .003 -.001 S(2) .7628 .3864 .9083 .012 .009 .013 .012 .000 .002 -.001 O(1) .4336 .2073 .4864 .017 .017 .016 .021 .000 .009 -.005 O(1W) .2460 .0514 -.1321 .041 .040 .029 .067 -.013 .037 -.022 O(2) .5859 .2194 .1676 .022 .020 .032 .015 .005 .004 .006 O(2W) .1134 .0489 .3090 .031 .019 .045 .029 .002 .001 -.019 O(3) .8095 .1694 .4974 .018 .014 .022 .017 -.001 .001 .003 O(3W) .1803 -.1170 .0906 .040 .066 .036 .018 .031 .019 .010 O(4) .5411 .0773 .3218 .024 .021 .017 .038 -.003 .011 -.011 O(4W) .2598 .2539 .8459 .018 .014 .024 .015 .003 .006 .002 O(5) .6269 .3284 .7588 .019 .012 .023 .021 -.002 -.001 -.006 O(5W) .0364 .3084 .4459 .016 .013 .021 .014 -.005 .000 .002 O(6) .6421 .4222 .0656 .018 .017 .018 .022 -.001 .010 -.004 O(6W) .2231 .4352 .7000 .018 .014 .018 .024 -.002 .007 -.008 O(7) .8276 .4568 .7805 .020 .017 .018 .025 .002 .009 .005 O(7W) .3824 .3881 .3390 .019 .020 .020 .021 .005 .012 .006 O(8) .9504 .3311 .0139 .016 .012 .023 .014 .003 .001 .002 H(1) .3180 .0230 -.1890 .057 H(2A) .3090 .0550 -.0180 .5 .059 H(2B) .2720 .0984 -.1480 .5 .059 H(3) .2300 .0570 .3450 .050 H(4) .0550 .0740 .3850 .054 H(5) .1840 -.1354 .2000 .039 H(6) .2290 -.1520 .0210 .048 H(7) .3570 .2402 .9510 .042 H(8) .1660 .2742 .8830 .034 H(9) -.0220 .2722 .4710 .028 H(10) .0110 .3184 .3130 .027 H(11) .2790 .4680 .7680 .041 H(12) .0920 .4397 .7190 .043 H(13) .3310 .4340 .3090 .048 H(14) .4730 .3802 .2680 .034