data_global _chemical_name_mineral 'Fluorapophyllite-(K)' loop_ _publ_author_name 'Colville A A' 'Anderson C P' 'Black P M' _journal_name_full 'American Mineralogist' _journal_volume 56 _journal_year 1971 _journal_page_first 1222 _journal_page_last 1233 _publ_section_title ; Refinement of the crystal structure of apophyllite I. X-ray diffraction and physical properties ; _database_code_amcsd 255 _chemical_compound_source 'Phoenix mine, Keweenaw Peninsula, Michigan, USA' _chemical_formula_sum '(K.84 Na.16) Ca4 Si8 O28 F H16' _cell_length_a 8.963 _cell_length_b 8.963 _cell_length_c 15.804 _cell_angle_alpha 90.0 _cell_angle_beta 90.0 _cell_angle_gamma 90.0 _cell_volume 1269.62 _exptl_crystal_density_diffrn 2.366 _symmetry_space_group_name_H-M 'P 4/m n c' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2-y,1/2-x,1/2+z' '1/2+y,1/2+x,1/2-z' 'y,-x,-z' '-y,x,z' '1/2+x,1/2-y,1/2+z' '1/2-x,1/2+y,1/2-z' 'x,y,-z' '-x,-y,z' '1/2+y,1/2+x,1/2+z' '1/2-y,1/2-x,1/2-z' '-y,x,-z' 'y,-x,z' '1/2-x,1/2+y,1/2+z' '1/2+x,1/2-y,1/2-z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy K 0.0 0.0 0.5 0.84 Na 0.0 0.0 0.5 0.16 Ca 0.1102 0.246 0.0 1.0 Si 0.2258 0.0864 0.19 1.0 O1 0.3635 0.1365 0.25 1.0 O2 0.0843 0.1899 0.2177 1.0 O3 0.2642 0.102 0.0923 1.0 F 0.0 0.0 0.0 1.0 Wat4 0.2128 0.4498 0.09 1.0 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 K 0.02533 0.02533 0.06308 0.0 0.0 0.0 Na 0.02533 0.02533 0.06308 0.0 0.0 0.0 Ca 0.00735 0.00861 0.0076 0.00081 0.0 0.0 Si 0.00697 0.00697 0.01014 -0.00038 -0.00215 0.0 O1 0.01013 0.01013 0.0076 -0.00127 -0.00291 -0.00291 O2 0.00861 0.01304 0.02255 0.00405 -0.00076 -0.00431 O3 0.01229 0.01267 0.01267 0.00127 -0.00291 -0.00139 F 0.00697 0.00697 0.03661 0.0 0.0 0.0 Wat4 0.03344 0.01431 0.01899 -0.00165 -0.00076 -0.00507