data_global _chemical_name_mineral 'Fluoro-eckermannite' loop_ _publ_author_name 'Oberti R' 'Hawthorne F C' 'Camara F' 'Raudsepp M' _journal_name_full 'American Mineralogist' _journal_volume 84 _journal_year 1999 _journal_page_first 102 _journal_page_last 111 _publ_section_title ; Unusual M3+ cations in synthetic amphiboles with nominal fluoro-eckermannite composition: Deviations from stoichiometry and structural effects of the cummingtonite component Sample: Al, Na.98Na1.10Mg.90Mg4.88Al.12Si8O22F2 ; _database_code_amcsd 0002055 _chemical_formula_sum 'Si8 Mg5.76 Al.12 Na2.11 O22 F2' _cell_length_a 9.668 _cell_length_b 17.916 _cell_length_c 5.271 _cell_angle_alpha 90 _cell_angle_beta 102.82 _cell_angle_gamma 90 _cell_volume 890.241 _exptl_crystal_density_diffrn 3.008 _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 Si(1) 0.28420 0.08480 0.28300 1.00000 0.00722 Si(2) 0.29220 0.17060 0.78720 1.00000 0.00849 Mg(1) 0.00000 0.08870 0.50000 1.00000 0.00874 Mg(2) 0.00000 0.17930 0.00000 0.94000 0.01127 Al(2) 0.00000 0.17930 0.00000 0.06000 0.01127 Mg(3) 0.00000 0.00000 0.00000 1.00000 0.00836 Na(4) 0.00000 0.26380 0.50000 0.56000 0.02318 Mg(4) 0.00000 0.26380 0.50000 0.44000 0.02318 NaA 0.00000 0.50000 0.00000 0.29000 0.03939 NaA(m) 0.04640 0.50000 0.11220 0.35000 0.03382 O1 0.11430 0.08470 0.21400 1.00000 0.00988 O2 0.12080 0.16980 0.72160 1.00000 0.01089 F3 0.10450 0.00000 0.70740 1.00000 0.01001 O4 0.36830 0.24880 0.78360 1.00000 0.01976 O5 0.35050 0.12770 0.06740 1.00000 0.02280 O6 0.34730 0.11940 0.56810 1.00000 0.02786 O7 0.34540 0.00000 0.28370 1.00000 0.01507