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: Cr2, Na1.00Na1.75Mg.25Mg4.25Cr.75Si8O22F2 ; _database_code_amcsd 0002060 _chemical_formula_sum 'Si8 Mg4.42 Cr.76 Na2.51 O22 F2' _cell_length_a 9.728 _cell_length_b 17.825 _cell_length_c 5.278 _cell_angle_alpha 90 _cell_angle_beta 103.66 _cell_angle_gamma 90 _cell_volume 889.326 _exptl_crystal_density_diffrn 3.060 _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) 0.28350 0.08570 0.29240 1.00000 0.00469 Si(2) 0.28970 0.17180 0.79990 1.00000 0.00469 Mg(1) 0.00000 0.08980 0.50000 1.00000 0.00646 Cr(2) 0.00000 0.17850 0.00000 0.38000 0.00431 Mg(2) 0.00000 0.17850 0.00000 0.62000 0.00431 Mg(3) 0.00000 0.00000 0.00000 1.00000 0.00481 Mg(4) 0.00000 0.27400 0.50000 0.05000 0.01710 Na(4) 0.00000 0.27400 0.50000 0.95000 0.01710 NaA 0.00000 0.50000 0.00000 0.27000 0.02520 NaA(m) 0.04020 0.50000 0.09460 0.09000 0.03014 NaA(2) 0.00000 0.47430 0.00000 0.08000 0.02812 Mg(4*) 0.00000 0.24410 0.50000 0.04000 0.00519 O1 0.11280 0.08590 0.21360 1.00000 0.00659 O2 0.11890 0.16780 0.73160 1.00000 0.00633 F3 0.10290 0.00000 0.70910 1.00000 0.00785 O4 0.36180 0.25100 0.79470 1.00000 0.01077 O5 0.35220 0.12940 0.08280 1.00000 0.00874 O6 0.34450 0.11880 0.58260 1.00000 0.00950 O7 0.34300 0.00000 0.29090 1.00000 0.00899