Ferricopiapite Majzlan J, Kiefer B The Canadian Mineralogist 44 (2006) 1227-1237 An X-ray and neutron-diffraction study of synthetic ferricopiapite, Fe14/3(SO4)6(OD,OH)2(D2O,H2O)20, and ab-initio calculations on the structure of magnesiocopiapite MgFe4(SO4)6(OH)2(H2O)20 Locality: synthetic _database_code_amcsd 0006121 7.3926 18.3806 7.3361 93.933 102.212 98.900 P-1 atom x y z occ Uiso FeA 0 0 0 .633 .015 Fe1 .7871 .3154 .5507 .014 Fe2 .5950 .6695 .8052 .015 S1 .8291 .7351 .2189 .030 S2 .8197 .4189 .2232 .018 S3 .6405 .1948 .1988 .031 O1 .736 .6698 .081 .029 O2 .691 .7671 .305 .007 O3 .047 .2939 .625 .043 O4 .056 .2062 .852 .016 O5 .628 .3921 .110 .008 O6 .846 .4923 .335 .027 O7 .880 .3614 .336 .008 O8 .936 .4215 .084 .025 O9 .560 .1156 .174 .014 O10 .510 .7602 .866 .004 O11 .788 .2130 .093 .024 O12 .726 .2190 .400 .031 Oh13 .459 .6623 .539 .014 Ow14 .695 .2725 .757 .037 Ow15 .859 .4113 .726 .012 Ow16 .232 .9478 .085 .134 Ow17 .692 .5723 .760 .020 Ow18 .050 .9839 .735 .154 Ow19 .830 .7298 .742 .033 Ow20 .178 .0917 .049 .106 Ow21 .770 .9100 .446 .076 Ow22 .534 .5597 .286 .024 Ow23 .643 .0740 .565 .110 D1 .495 .6263 .458 .001 D2 .746 .2537 .873 .015 D3 .557 .2612 .743 .009 D4 .900 .4147 .864 .061 D5 .953 .4470 .683 .018 D6 .293 .9357 .216 .124 D7 .302 .9442 -.018 .159 D8 .828 .5710 .809 .012 D9 .622 .5218 .750 .017 D10 .113 .0252 .681 .225 D11 -.074 .9576 .646 .099 D12 .838 .7200 .611 .054 D13 .952 .7492 .817 .035 D14 .314 .0983 .107 .164 D15 .152 .1366 -.011 .083 D16 .675 .9383 .401 .109 D17 .750 .8609 .377 .064 D18 .659 .5453 .309 .087 D19 .506 .5828 .168 .036 D20 .506 .0727 .542 .204 D21 .714 .1228 .551 .145