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: A1 ; _database_code_amcsd 0005568 _chemical_formula_sum '(Si7.44 Al.56) Mg5.06 Na1.8 Ca1.68 O22 F2' _cell_length_a 9.845 _cell_length_b 18.010 _cell_length_c 5.275 _cell_angle_alpha 90 _cell_angle_beta 104.74 _cell_angle_gamma 90 _cell_volume 904.522 _exptl_crystal_density_diffrn 3.105 _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 0.28160 0.08410 0.29900 0.93000 0.00456 AlT1 0.28160 0.08410 0.29900 0.07000 0.00456 SiT2 0.28900 0.17140 0.80570 0.93000 0.00532 AlT2 0.28900 0.17140 0.80570 0.07000 0.00532 Mg1 0.00000 0.08860 0.50000 1.00000 0.00570 Mg2 0.00000 0.17650 0.00000 1.00000 0.00608 Mg3 0.00000 0.00000 0.00000 1.00000 0.00633 NaM4 0.00000 0.27750 0.50000 0.13000 0.00988 CaM4 0.00000 0.27750 0.50000 0.84000 0.00988 MgM4 0.00000 0.27750 0.50000 0.03000 0.00988 NaA 0.00000 0.50000 0.00000 0.10000 0.01710 NaAm 0.04210 0.50000 0.09790 0.47000 0.03711 NaA2 0.00000 0.47270 0.00000 0.25000 0.03888 O1 0.11160 0.08460 0.21930 1.00000 0.00570 O2 0.11880 0.16980 0.72660 1.00000 0.00684 F3 0.10340 0.00000 0.71280 1.00000 0.00937 O4 0.36400 0.24880 0.79010 1.00000 0.00925 O5 0.34890 0.13510 0.10090 1.00000 0.01077 O6 0.34560 0.11730 0.59620 1.00000 0.00988 O7 0.34360 0.00000 0.28710 1.00000 0.01001