data_global _chemical_name_mineral 'Fluoro-magnesio-aluminokatophorite' loop_ _publ_author_name 'Oberti R' 'Hawthorne F C' 'Camara F' 'Raudsepp M' _journal_name_full 'The Canadian Mineralogist' _journal_volume 36 _journal_year 1998 _journal_page_first 1245 _journal_page_last 1252 _publ_section_title ; Synthetic fluoro-amphiboles: site preferences of Al, Ga, Sc and inductive effects on mean bond-lengths of octahedra Sample: A2, Sc-substituted ; _database_code_amcsd 0005569 _chemical_formula_sum '(Si7.2 Al.8) (Mg4.15 Sc.85) Na2.76 Ca.98 O22 F2' _cell_length_a 9.853 _cell_length_b 18.061 _cell_length_c 5.295 _cell_angle_alpha 90 _cell_angle_beta 104.49 _cell_angle_gamma 90 _cell_volume 912.299 _exptl_crystal_density_diffrn 3.115 _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 SiT1 0.28260 0.08430 0.29690 0.90000 0.00507 AlT1 0.28260 0.08430 0.29690 0.10000 0.00507 SiT2 0.28910 0.17040 0.80260 0.90000 0.00583 AlT2 0.28910 0.17040 0.80260 0.10000 0.00583 MgM1 0.00000 0.08830 0.50000 0.83000 0.00621 ScM1 0.00000 0.08830 0.50000 0.17000 0.00621 MgM2 0.00000 0.17870 0.00000 0.83000 0.00747 ScM2 0.00000 0.17870 0.00000 0.17000 0.00747 MgM3 0.00000 0.00000 0.00000 0.83000 0.00621 ScM3 0.00000 0.00000 0.00000 0.17000 0.00621 NaM4 0.00000 0.27810 0.50000 0.51000 0.01444 CaM4 0.00000 0.27810 0.50000 0.49000 0.01444 NaA 0.00000 0.50000 0.00000 0.16000 0.02546 NaAm 0.04370 0.50000 0.10120 0.50000 0.03280 NaA2 0.00000 0.47300 0.00000 0.29000 0.03926 O1 0.11180 0.08480 0.21840 1.00000 0.00646 O2 0.11930 0.16830 0.72680 1.00000 0.00735 F3 0.10230 0.00000 0.71240 1.00000 0.00912 O4 0.36210 0.24860 0.79270 1.00000 0.01013 O5 0.34900 0.13280 0.09390 1.00000 0.01267 O6 0.34550 0.11720 0.59250 1.00000 0.01077 O7 0.34370 0.00000 0.28590 1.00000 0.01165