data_global _chemical_name_mineral 'Fluoro-ferri-magnesiokatophorite' loop_ _publ_author_name 'Hawthorne F C' 'Ungaretti L' 'Oberti R' 'Bottazzi P' 'Czamanske G K' _journal_name_full 'American Mineralogist' _journal_volume 78 _journal_year 1993 _journal_page_first 733 _journal_page_last 745 _publ_section_title ; Li: an important component in igneous alkali amphiboles Sample: A(7), magnesio-ferri-fluor-katophorite ; _database_code_amcsd 0001592 _chemical_compound_source 'Questa caldera, New Mexico' _chemical_formula_sum 'O22.4 (F1.6 Si7.704) Al.296 Mg2.57 Fe1.72 Ti.04 Mn.63 Zn.04 Li.08 Na1.864 Ca.72 K.166 H.4' _cell_length_a 9.861 _cell_length_b 18.050 _cell_length_c 5.288 _cell_angle_alpha 90 _cell_angle_beta 104.22 _cell_angle_gamma 90 _cell_volume 912.377 _exptl_crystal_density_diffrn 3.239 _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 0.11200 0.08630 0.21550 1.00000 0.00912 O2 0.11980 0.16970 0.72770 1.00000 0.00963 O-H3 0.10610 0.00000 0.71120 0.20000 0.01165 F 0.10610 0.00000 0.71120 0.80000 0.01165 O4 0.36290 0.24850 0.79360 1.00000 0.01279 O5 0.34800 0.13080 0.08870 1.00000 0.01241 O6 0.34350 0.11810 0.58640 1.00000 0.01165 O7 0.33970 0.00000 0.29220 1.00000 0.01216 SiT1 0.28090 0.08470 0.29450 0.96300 0.00595 AlT1 0.28090 0.08470 0.29450 0.03700 0.00595 SiT2 0.28900 0.17050 0.80140 0.96300 0.00621 AlT2 0.28900 0.17050 0.80140 0.03700 0.00621 MgM1 0.00000 0.08920 0.50000 0.71500 0.00747 Fe3+M1 0.00000 0.08920 0.50000 0.03500 0.00747 TiM1 0.00000 0.08920 0.50000 0.02000 0.00747 MnM1 0.00000 0.08920 0.50000 0.23000 0.00747 MgM2 0.00000 0.18040 0.00000 0.21000 0.00747 Fe2+M2 0.00000 0.18040 0.00000 0.44000 0.00747 Fe3+M2 0.00000 0.18040 0.00000 0.29000 0.00747 MnM2 0.00000 0.18040 0.00000 0.04000 0.00747 ZnM2 0.00000 0.18040 0.00000 0.02000 0.00747 LiM3 0.00000 0.00000 0.00000 0.08000 0.00709 MgM3 0.00000 0.00000 0.00000 0.72000 0.00709 Fe2+M3 0.00000 0.00000 0.00000 0.19000 0.00709 MnM3 0.00000 0.00000 0.00000 0.01000 0.00709 NaM4 0.00000 0.27620 0.50000 0.60000 0.01520 CaM4 0.00000 0.27620 0.50000 0.36000 0.01520 MnM4 0.00000 0.27620 0.50000 0.04000 0.01520 KA 0.00000 0.50000 0.00000 0.05600 0.09929 NaA 0.00000 0.50000 0.00000 0.22200 0.09929 KAm 0.03960 0.50000 0.09480 0.04400 0.04597 NaAm 0.03960 0.50000 0.09480 0.17700 0.04597 KA2 0.00000 0.48020 0.00000 0.01100 0.05028 NaA2 0.00000 0.48020 0.00000 0.04400 0.05028