data_global _chemical_name_mineral 'Adranosite-(Fe)' loop_ _publ_author_name 'Mitolo D' 'Demartin F' 'Garavelli A' 'Campostrini I' 'Pinto D' 'Gramaccioli C M' 'Acquafredda P' 'Kolitsch U' _journal_name_full 'The Canadian Mineralogist' _journal_volume 51 _journal_year 2013 _journal_page_first 57 _journal_page_last 66 _publ_section_title ; Adranosite-(Fe), (NH4)4NaFe2(SO4)4Cl(OH)2, a new ammonium sulfate chloride from La Fossa Crater, Vulcano, Aeolian Islands, Italy ; _database_code_amcsd 0019805 _chemical_compound_source 'La Fossa Crater, Vulcano, Aeolian Islands, Italy' _chemical_formula_sum 'Na (Fe1.82 Al.18) S4 Cl (N3.892 K.108) O18 H17.568' _cell_length_a 18.261 _cell_length_b 18.261 _cell_length_c 11.562 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 3855.512 _exptl_crystal_density_diffrn 2.266 _symmetry_space_group_name_H-M 'I 41/a c d' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,1/2+z' '1/4-y,3/4-x,3/4+z' '3/4-y,1/4-x,1/4+z' '1/4+y,3/4+x,3/4-z' '3/4+y,1/4+x,1/4-z' '1/4+y,3/4-x,1/4-z' '3/4+y,1/4-x,3/4-z' '1/4-y,3/4+x,1/4+z' '3/4-y,1/4+x,3/4+z' '1/2+x,-y,z' '+x,1/2-y,1/2+z' '1/2-x,y,-z' '-x,1/2+y,1/2-z' '1/2+x,y,1/2-z' '+x,1/2+y,-z' '1/2-x,-y,1/2+z' '-x,1/2-y,+z' '1/4+y,1/4+x,1/4+z' '3/4+y,3/4+x,3/4+z' '1/4-y,1/4-x,1/4-z' '3/4-y,3/4-x,3/4-z' '1/4-y,1/4+x,3/4-z' '3/4-y,3/4+x,1/4-z' '1/4+y,1/4-x,3/4+z' '3/4+y,3/4-x,1/4+z' '-x,y,1/2+z' '1/2-x,1/2+y,+z' 'x,-y,1/2-z' '1/2+x,1/2-y,-z' '-x,-y,-z' '1/2-x,1/2-y,1/2-z' 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 Na 0.50000 0.25000 0.12500 1.00000 0.01920 Fe 0.30466 0.55466 0.12500 0.91000 0.01390 Al 0.30466 0.55466 0.12500 0.09000 0.01390 S 0.37858 0.39769 0.13582 1.00000 0.01630 Cl 0.50000 0.25000 0.37500 1.00000 0.02880 N 0.32456 0.23263 0.37804 0.97300 0.03750 K 0.32456 0.23263 0.37804 0.02700 0.03750 O1 0.38441 0.47904 0.11353 1.00000 0.01850 O2 0.31686 0.36867 0.07216 1.00000 0.03440 O3 0.36733 0.38742 0.26199 1.00000 0.02050 O4 0.44810 0.36554 0.10319 1.00000 0.03110 O5 0.26100 0.50000 0.25000 1.00000 0.01640 H1 0.30470 0.28330 0.39200 0.97300 0.11700 H2 0.36950 0.23550 0.32920 0.97300 0.16200 H3 0.33470 0.20770 0.45270 0.97300 0.06000 H4 0.28580 0.20400 0.33440 0.97300 0.17200 H5 0.21170 0.50000 0.25000 1.00000 0.09800 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 Na 0.01450 0.01450 0.02860 0.00000 0.00000 0.00000 Fe 0.01360 0.01360 0.01450 0.00120 -0.00160 0.00160 Al 0.01360 0.01360 0.01450 0.00120 -0.00160 0.00160 S 0.01830 0.01510 0.01550 0.00280 0.00090 -0.00050 Cl 0.02900 0.02900 0.02850 0.00060 0.00000 0.00000 N 0.05340 0.02810 0.03090 0.00720 0.00500 0.00190 K 0.05340 0.02810 0.03090 0.00720 0.00500 0.00190 O1 0.01640 0.01520 0.02380 0.00120 0.00260 0.00390 O2 0.03430 0.03060 0.03820 -0.00620 -0.01370 -0.00990 O3 0.02340 0.02060 0.01750 0.00470 0.00400 0.00360 O4 0.03100 0.02920 0.03320 0.01740 0.01380 0.00480 O5 0.01310 0.01670 0.01950 0.00000 0.00000 0.00750