data_global _chemical_name_mineral 'Uklonskovite' loop_ _publ_author_name 'Sabelli C' _journal_name_full 'Bulletin de Mineralogie' _journal_volume 108 _journal_year 1985 _journal_page_first 133 _journal_page_last 138 _publ_section_title ; Uklonskovite, NaMg(SO4)F*2H2O: new mineralogical data and structure refinement ; _database_code_amcsd 0012084 _chemical_compound_source 'Cetine mine, Tuscany, Italy' _chemical_formula_sum 'Na Mg S O6 F H4' _cell_length_a 7.202 _cell_length_b 7.214 _cell_length_c 5.734 _cell_angle_alpha 90 _cell_angle_beta 113.23 _cell_angle_gamma 90 _cell_volume 273.759 _exptl_crystal_density_diffrn 2.407 _symmetry_space_group_name_H-M 'P 1 21/m 1' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,1/2-y,z' '-x,1/2+y,-z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv Na 0.19600 0.25000 0.63210 0.02356 Mg 0.00000 0.00000 0.00000 0.00988 S 0.30690 0.75000 0.85350 0.00899 O1 0.17630 0.58390 0.80130 0.01672 O2 0.40670 0.75000 0.66920 0.01343 O3 0.45720 0.75000 0.11210 0.02102 F1 0.02070 0.25000 0.88520 0.01305 O4w 0.25760 0.45660 0.32910 0.01418 H1 0.34600 0.41800 0.29500 0.04433 H2 0.29600 0.54500 0.40800 0.04433 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 0.02285 0.03137 0.02152 0.00000 0.01413 0.00000 Mg 0.01132 0.00844 0.01111 -0.00024 0.00565 0.00019 S 0.00932 0.00923 0.01027 0.00000 0.00583 0.00000 O1 0.01953 0.01476 0.02110 -0.00750 0.01378 -0.00481 O2 0.01487 0.01186 0.01800 0.00000 0.01148 0.00000 O3 0.01531 0.03137 0.01210 0.00000 0.00106 0.00000 F1 0.01642 0.00817 0.01646 0.00000 0.00848 0.00000 O4w 0.01287 0.01424 0.01491 0.00121 0.00477 -0.00250