data_global _chemical_name_mineral 'Natropharmacoalumite' loop_ _publ_author_name 'Rumsey M S' 'Mills S J' 'Spratt J' _journal_name_full 'Mineralogical Magazine' _journal_volume 74 _journal_year 2010 _journal_page_first 929 _journal_page_last 936 _publ_section_title ; Natropharmacoalumite, NaAl4[(OH)4(AsO4)3]*4H2O, a new mineral of the pharmacosiderite supergroup and the renaming of aluminopharmacosiderite to pharmacoalumite ; _database_code_amcsd 0017883 _chemical_compound_source 'Maria Josefa Gold mine, Rodalquilar, Andalusia region, Spain' _chemical_formula_sum 'Na.57 K.222 As3 Al4 O19.104 H10.416' _cell_length_a 7.7280 _cell_length_b 7.7280 _cell_length_c 7.7280 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 461.531 _exptl_crystal_density_diffrn 2.413 _symmetry_space_group_name_H-M 'P -4 3 m' loop_ _space_group_symop_operation_xyz 'x,y,z' '-z,x,-y' '-y,z,-x' '-x,y,-z' 'x,-z,-y' 'z,-y,-x' 'y,-x,-z' 'x,z,y' 'z,y,x' 'y,x,z' '-z,-x,y' '-y,-z,x' '-x,-y,z' 'z,-x,-y' 'y,-z,-x' 'x,-y,-z' '-x,z,-y' '-z,y,-x' '-y,x,-z' '-x,-z,y' '-z,-y,x' '-y,-x,z' 'z,x,y' 'y,z,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 Na 0.50000 0.05200 0.50000 0.09500 0.03100 K 0.50000 0.05200 0.50000 0.03700 0.03100 As1 0.50000 0.00000 0.00000 1.00000 0.01220 Al1 0.13910 0.13910 0.13910 1.00000 0.01140 O1 0.12660 0.12660 0.37580 1.00000 0.01480 O2 0.88580 0.88580 0.88580 1.00000 0.01300 Wat3 0.50000 0.12200 0.50000 0.48200 0.03000 O4 0.68500 0.68500 0.68500 0.05300 0.04700 H34 0.68500 0.68500 0.68500 0.15800 0.04700 H2 0.82590 0.82590 0.82590 1.00000 0.01600 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 As1 0.00960 0.01350 0.01350 0.00000 0.00000 0.00000 Al1 0.01140 0.01140 0.01140 0.00160 0.00160 0.00160 O1 0.01710 0.01710 0.01000 -0.00700 0.00150 0.00150 O2 0.01300 0.01300 0.01300 0.00200 0.00200 0.00200