data_global _chemical_name_mineral 'Dansite-(Fe)' loop_ _publ_author_name 'Demartin F' 'Campostrini I' 'Castellano C' 'Gramaccioli C M' 'Russo M' _journal_name_full 'Mineralogical Magazine' _journal_volume 76 _journal_year 2012 _journal_page_first 2773 _journal_page_last 2783 _publ_section_title ; D'ansite-(Mn), Na21Mn2+(SO4)10Cl3 and d'ansite-(Fe), Na21Fe2+(SO4)10Cl3, two new minerals from volcanic fumaroles ; _database_code_amcsd 0019748 _chemical_compound_source 'La Fossa crater, Vulcano, Aeolian Islands, Italy' _chemical_formula_sum 'Na21.48 Fe.52 S10 O40 Cl3' _cell_length_a 15.882 _cell_length_b 15.882 _cell_length_c 15.882 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 4006.043 _exptl_crystal_density_diffrn 2.636 _symmetry_space_group_name_H-M 'I -4 3 d' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,1/2+z' '1/2-z,x,-y' '-z,1/2+x,1/2-y' '1/2-y,z,-x' '-y,1/2+z,1/2-x' '1/2-x,y,-z' '-x,1/2+y,1/2-z' '1/4+x,3/4-z,1/4-y' '3/4+x,1/4-z,3/4-y' '1/4+z,3/4-y,1/4-x' '3/4+z,1/4-y,3/4-x' '1/4+y,3/4-x,1/4-z' '3/4+y,1/4-x,3/4-z' '1/4+x,1/4+z,1/4+y' '3/4+x,3/4+z,3/4+y' '1/4+z,1/4+y,1/4+x' '3/4+z,3/4+y,3/4+x' '1/4+y,1/4+x,1/4+z' '3/4+y,3/4+x,3/4+z' '-z,1/2-x,y' '1/2-z,-x,1/2+y' '-y,1/2-z,x' '1/2-y,-z,1/2+x' '-x,1/2-y,z' '1/2-x,-y,1/2+z' '1/2+z,1/2-x,-y' '+z,-x,1/2-y' '1/2+y,1/2-z,-x' '+y,-z,1/2-x' '1/2+x,1/2-y,-z' '+x,-y,1/2-z' '3/4-x,3/4+z,1/4-y' '1/4-x,1/4+z,3/4-y' '3/4-z,3/4+y,1/4-x' '1/4-z,1/4+y,3/4-x' '3/4-y,3/4+x,1/4-z' '1/4-y,1/4+x,3/4-z' '3/4-x,1/4-z,1/4+y' '1/4-x,3/4-z,3/4+y' '3/4-z,1/4-y,1/4+x' '1/4-z,3/4-y,3/4+x' '3/4-y,1/4-x,1/4+z' '1/4-y,3/4-x,3/4+z' 'z,x,y' '1/2+z,1/2+x,1/2+y' 'y,z,x' '1/2+y,1/2+z,1/2+x' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_U_iso_or_equiv Na1 0.88098 0.37440 0.84834 1.00000 0.02430 Na2 0.00000 0.25000 0.04293 1.00000 0.06890 Na3 0.08027 0.58027 0.91973 0.87000 0.04540 Fe3 0.08027 0.58027 0.91973 0.13000 0.04540 S1 0.01852 0.50000 0.75000 1.00000 0.01710 S2 0.96103 0.46103 0.03897 1.00000 0.01640 O1 -0.03390 0.42636 0.73325 1.00000 0.02740 O2 0.07233 0.51656 0.67692 1.00000 0.03720 O3 0.91376 0.47536 -0.03641 1.00000 0.05960 O4 0.90884 0.40884 0.09116 1.00000 0.10020 Cl 0.00000 0.25000 0.87500 1.00000 0.02080 loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 Na1 0.02360 0.02390 0.02520 0.00140 0.00170 0.00240 Na2 0.15200 0.03710 0.01800 -0.03200 0.00000 0.00000 Na3 0.04540 0.04540 0.04540 0.00270 -0.00270 -0.00270 Fe3 0.04540 0.04540 0.04540 0.00270 -0.00270 -0.00270 S1 0.01020 0.02400 0.01720 0.00000 0.00000 0.00340 S2 0.01640 0.01640 0.01640 0.00180 -0.00180 -0.00180 O1 0.01940 0.03230 0.03050 -0.01010 0.00270 0.00050 O2 0.03550 0.03120 0.04490 0.00760 0.02430 0.01320 O3 0.08870 0.06420 0.02590 0.03650 -0.02570 -0.00940 O4 0.10020 0.10020 0.10020 -0.03080 0.03080 0.03080 Cl 0.02440 0.02440 0.01360 0.00000 0.00000 0.00000