data_global _chemical_name_mineral 'Katophorite' loop_ _publ_author_name 'Hawthorne F C' 'Oberti R' 'Sardone N' _journal_name_full 'The Canadian Mineralogist' _journal_volume 34 _journal_year 1996 _journal_page_first 577 _journal_page_last 593 _publ_section_title ; Sodium at the A site in clinoamphiboles: the effects of composition on patterns of order Sample: A7 - D163 N.2 ; _database_code_amcsd 0005492 _chemical_formula_sum 'Si7.24 Al1.98 Mg2.42 Fe1.4 Ti.04 Ca1.12 Na1.58 K.022 H1.74 O23.74 F.26' _cell_length_a 9.737 _cell_length_b 17.875 _cell_length_c 5.314 _cell_angle_alpha 90 _cell_angle_beta 104.64 _cell_angle_gamma 90 _cell_volume 894.867 _exptl_crystal_density_diffrn 3.208 _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 0.28110 0.08690 0.30040 0.81000 0.00557 AlT1 0.28110 0.08690 0.30040 0.19000 0.00557 SiT2 0.29240 0.17380 0.81410 1.00000 0.00583 MgM1 0.00000 0.09030 0.50000 0.75000 0.00709 FeM1 0.00000 0.09030 0.50000 0.25000 0.00709 AlM2 0.00000 0.17840 0.00000 0.61000 0.00697 TiM2 0.00000 0.17840 0.00000 0.02000 0.00697 FeM2 0.00000 0.17840 0.00000 0.18000 0.00697 MgM2 0.00000 0.17840 0.00000 0.19000 0.00697 MgM3 0.00000 0.00000 0.00000 0.54000 0.00671 FeM3 0.00000 0.00000 0.00000 0.46000 0.00671 FeM4 0.00000 0.27970 0.50000 0.02000 0.00975 CaM4 0.00000 0.27970 0.50000 0.28000 0.00975 NaM4 0.00000 0.27970 0.50000 0.20000 0.00975 FeM4* 0.00000 0.25680 0.50000 0.02000 0.02634 CaM4* 0.00000 0.25680 0.50000 0.28000 0.02634 NaM4* 0.00000 0.25680 0.50000 0.20000 0.02634 NaAm 0.04370 0.50000 0.10040 0.16100 0.04344 KAm 0.04370 0.50000 0.10040 0.00500 0.04344 NaA2 0.00000 0.47470 0.00000 0.22900 0.03736 KA2 0.00000 0.47470 0.00000 0.00600 0.03736 H 0.18800 0.00000 0.75620 0.87000 0.01456 O1 0.10540 0.09230 0.20940 1.00000 0.00963 O2 0.11910 0.17430 0.74380 1.00000 0.00861 O-h3 0.10980 0.00000 0.70850 0.87000 0.01089 F3 0.10980 0.00000 0.70850 0.13000 0.01089 O4 0.36940 0.25200 0.79590 1.00000 0.01051 O5 0.35360 0.13860 0.10530 1.00000 0.01229 O6 0.34230 0.11880 0.60400 1.00000 0.01178 O7 0.33720 0.00000 0.28010 1.00000 0.01444