data_global _chemical_name_mineral 'Adranosite' loop_ _publ_author_name 'Demartin F' 'Gramaccioli C M' 'Campostrini I' _journal_name_full 'The Canadian Mineralogist' _journal_volume 48 _journal_year 2010 _journal_page_first 315 _journal_page_last 321 _publ_section_title ; Adranosite, (NH4)4NaAl2(SO4)4Cl(OH)2, a new ammonium sulfate chloride from La Fossa Crater, Vulcano, Aeolian Islands, Italy ; _database_code_amcsd 0006333 _chemical_compound_source 'La Fossa Crater, Vulcano, Aeolian Islands, Italy' _chemical_formula_sum 'Na Al2 S4 Cl N4 O18 H18' _cell_length_a 18.118 _cell_length_b 18.118 _cell_length_c 11.320 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 3715.925 _exptl_crystal_density_diffrn 2.155 _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_U_iso_or_equiv Na 0.50000 0.25000 0.12500 0.01640 Al 0.30294 0.55294 0.12500 0.01470 S 0.37582 0.39982 0.13783 0.01670 Cl 0.50000 0.25000 0.37500 0.03090 N 0.32267 0.23391 0.37650 0.02690 O1 0.37981 0.48138 0.11043 0.01850 O2 0.31502 0.36716 0.07200 0.02950 O3 0.36366 0.39176 0.26733 0.01910 O4 0.44711 0.36856 0.10786 0.02800 O5 0.26221 0.50000 0.25000 0.01570 H1 0.30130 0.28370 0.39070 0.10000 H2 0.36770 0.23620 0.32780 0.14200 H3 0.33110 0.20750 0.45260 0.12900 H4 0.28350 0.20440 0.33070 0.18500 H5 0.21270 0.50000 0.25000 0.02800 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 0.01420 0.01420 0.02090 0.00000 0.00000 0.00000 Al 0.01560 0.01560 0.01270 -0.00040 0.00070 0.00070 S 0.01880 0.01770 0.01360 0.00280 0.00060 -0.00130 Cl 0.03200 0.03200 0.02860 0.00160 0.00000 0.00000 N 0.03610 0.02170 0.02290 0.00790 0.00710 0.00120 O1 0.01890 0.01500 0.02160 0.00070 0.00400 0.00310 O2 0.03320 0.02760 0.02760 -0.00220 -0.01300 -0.00770 O3 0.02240 0.02070 0.01430 0.00390 0.00500 0.00260 O4 0.02650 0.02760 0.03000 0.01250 0.01240 0.00540 O5 0.01430 0.01610 0.01650 0.00000 0.00000 0.00460