data_global _chemical_name_mineral 'Fluoro-edenite' loop_ _publ_author_name 'Gianfagna A' 'Oberti R' _journal_name_full 'American Mineralogist' _journal_volume 86 _journal_year 2001 _journal_page_first 1489 _journal_page_last 1493 _publ_section_title ; Fluoro-edenite from Biancavilla (Catania, Sicily, Italy): Crystal chemistry of a new amphibole end-member ; _database_code_amcsd 0002746 _chemical_formula_sum 'O22 (Cl.02 F1.98) (Si7.44 Al.56) Mg4.74 Fe.3 Ca1.62 Na.85 Mn.04 K.15' _cell_length_a 9.846 _cell_length_b 18.009 _cell_length_c 5.277 _cell_angle_alpha 90 _cell_angle_beta 104.77 _cell_angle_gamma 90 _cell_volume 904.781 _exptl_crystal_density_diffrn 3.079 _symmetry_space_group_name_H-M 'C 1 2/m 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,z' 'x,-y,z' '1/2+x,1/2-y,z' '-x,y,-z' '1/2-x,1/2+y,-z' '-x,-y,-z' '1/2-x,1/2-y,-z' 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 O1 0.11080 0.08500 0.21860 1.00000 0.00621 O2 0.11900 0.17000 0.72680 1.00000 0.00684 Cl3 0.10310 0.00000 0.71260 0.01000 0.00887 F3 0.10310 0.00000 0.71260 0.99000 0.00887 O4 0.36390 0.24910 0.79200 1.00000 0.00963 O5 0.34840 0.13500 0.10160 1.00000 0.01140 O6 0.34510 0.11790 0.59510 1.00000 0.00988 O7 0.34160 0.00000 0.28990 1.00000 0.01140 Si1 0.28130 0.08430 0.29910 0.93000 0.00507 Al1 0.28130 0.08430 0.29910 0.07000 0.00507 Al2 0.28920 0.17150 0.80620 0.07000 0.00507 Si2 0.28920 0.17150 0.80620 0.93000 0.00507 MgM1 0.00000 0.08830 0.50000 0.94000 0.00621 FeM1 0.00000 0.08830 0.50000 0.06000 0.00621 MgM2 0.00000 0.17720 0.00000 0.94000 0.00595 FeM2 0.00000 0.17720 0.00000 0.06000 0.00595 MgM3 0.00000 0.00000 0.00000 0.94000 0.00621 FeM3 0.00000 0.00000 0.00000 0.06000 0.00621 CaM4 0.00000 0.27760 0.50000 0.81000 0.01102 NaM4 0.00000 0.27760 0.50000 0.15000 0.01102 MgM4 0.00000 0.27760 0.50000 0.02000 0.01102 MnM4 0.00000 0.27760 0.50000 0.02000 0.01102 NaA 0.00000 0.50000 0.00000 0.11000 0.01862 KA 0.00000 0.50000 0.00000 0.03000 0.01862 NaAm 0.03930 0.50000 0.09230 0.11000 0.02989 KAm 0.03930 0.50000 0.09230 0.03000 0.02989 NaA2 0.00000 0.47000 0.00000 0.11000 0.01976 KA2 0.00000 0.47000 0.00000 0.03000 0.01976 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 O1 0.00643 0.00657 0.00541 -0.00087 0.00148 -0.00047 O2 0.00551 0.00822 0.00686 -0.00087 0.00197 -0.00093 Cl3 0.01010 0.00822 0.00844 0.00000 0.00320 0.00000 F3 0.01010 0.00822 0.00844 0.00000 0.00320 0.00000 O4 0.01148 0.00822 0.00884 -0.00347 0.00271 -0.00093 O5 0.00918 0.01479 0.01016 0.00000 0.00222 0.00419 O6 0.00827 0.01150 0.01029 0.00000 0.00246 -0.00372 O7 0.00964 0.00822 0.01556 0.00000 0.00123 0.00000 Si1 0.00505 0.00493 0.00514 -0.00087 0.00049 -0.00047 Al1 0.00505 0.00493 0.00514 -0.00087 0.00049 -0.00047 Al2 0.00505 0.00493 0.00435 -0.00087 0.00098 0.00000 Si2 0.00505 0.00493 0.00435 -0.00087 0.00098 0.00000 MgM1 0.00643 0.00822 0.00462 0.00000 0.00172 0.00000 FeM1 0.00643 0.00822 0.00462 0.00000 0.00172 0.00000 MgM2 0.00597 0.00657 0.00594 0.00000 0.00172 0.00000 FeM2 0.00597 0.00657 0.00594 0.00000 0.00172 0.00000 MgM3 0.00781 0.00493 0.00501 0.00000 0.00049 0.00000 FeM3 0.00781 0.00493 0.00501 0.00000 0.00049 0.00000 CaM4 0.01286 0.00986 0.01240 0.00000 0.00812 0.00000 NaM4 0.01286 0.00986 0.01240 0.00000 0.00812 0.00000 MgM4 0.01286 0.00986 0.01240 0.00000 0.00812 0.00000 MnM4 0.01286 0.00986 0.01240 0.00000 0.00812 0.00000 NaA 0.01515 0.03943 0.00343 0.00000 0.00714 0.00000 KA 0.01515 0.03943 0.00343 0.00000 0.00714 0.00000 NaAm 0.02663 0.04436 0.02256 0.00000 0.01403 0.00000 KAm 0.02663 0.04436 0.02256 0.00000 0.01403 0.00000