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 0000255 _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 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 1269.620 _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 0.00000 0.00000 0.50000 0.84000 Na 0.00000 0.00000 0.50000 0.16000 Ca 0.11020 0.24600 0.00000 1.00000 Si 0.22580 0.08640 0.19000 1.00000 O1 0.36350 0.13650 0.25000 1.00000 O2 0.08430 0.18990 0.21770 1.00000 O3 0.26420 0.10200 0.09230 1.00000 F 0.00000 0.00000 0.00000 1.00000 Wat4 0.21280 0.44980 0.09000 1.00000 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 0.00000 0.00000 0.00000 Na 0.02533 0.02533 0.06308 0.00000 0.00000 0.00000 Ca 0.00735 0.00861 0.00760 0.00081 0.00000 0.00000 Si 0.00697 0.00697 0.01014 -0.00038 -0.00215 0.00000 O1 0.01013 0.01013 0.00760 -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 0.00000 0.00000 0.00000 Wat4 0.03344 0.01431 0.01899 -0.00165 -0.00076 -0.00507