data_global _chemical_name_mineral 'Fluoro-cannilloite' loop_ _publ_author_name 'Hawthorne F C' 'Oberti R' 'Ungaretti L' 'Grice J D' _journal_name_full 'American Mineralogist' _journal_volume 81 _journal_year 1996 _journal_page_first 995 _journal_page_last 1002 _publ_section_title ; A new hyper-calcic amphibole with Ca at the A site: Fluor-cannilloite from Pargas, Finland Sample: C2 ; _database_code_amcsd 0001824 _chemical_formula_sum 'O22.46 (F1.54 Si5.64) Al3.18 Mg3.72 Fe.52 Ti.02 Ca4.58 Mn.08 Na.55 K.2 H.46' _cell_length_a 9.826 _cell_length_b 17.906 _cell_length_c 5.301 _cell_angle_alpha 90 _cell_angle_beta 105.41 _cell_angle_gamma 90 _cell_volume 899.150 _exptl_crystal_density_diffrn 3.554 _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 0.10530 0.08780 0.21530 1.00000 0.00988 O2 0.11940 0.17320 0.73710 1.00000 0.00849 O-H3 0.10720 0.00000 0.71490 0.23000 0.01203 F3 0.10720 0.00000 0.71490 0.77000 0.01203 O4 0.36750 0.25180 0.78990 1.00000 0.01127 O5 0.35310 0.14150 0.11530 1.00000 0.01191 O6 0.34570 0.11670 0.61560 1.00000 0.01317 O7 0.34480 0.00000 0.27660 1.00000 0.01558 Si1 0.28150 0.08570 0.30490 0.41000 0.00608 Al1 0.28150 0.08570 0.30490 0.59000 0.00608 Si2 0.29180 0.17380 0.81630 1.00000 0.00583 Mg1 0.00000 0.08950 0.50000 0.93000 0.00709 Fe1 0.00000 0.08950 0.50000 0.07000 0.00709 Mg2 0.00000 0.17530 0.00000 0.47000 0.00646 Al2 0.00000 0.17530 0.00000 0.41000 0.00646 Ti2 0.00000 0.17530 0.00000 0.01000 0.00646 Fe2 0.00000 0.17530 0.00000 0.11000 0.00646 Mg3 0.00000 0.00000 0.00000 0.92000 0.00697 Fe3 0.00000 0.00000 0.00000 0.08000 0.00697 Ca4 0.00000 0.27970 0.50000 0.96000 0.00874 Mn4 0.00000 0.27970 0.50000 0.02000 0.00874 Fe4 0.00000 0.27970 0.50000 0.02000 0.00874 Ca4* 0.00000 0.26550 0.50000 0.93000 0.01444 Mn4* 0.00000 0.26550 0.50000 0.02000 0.01444 Fe4* 0.00000 0.26550 0.50000 0.02000 0.01444 NaA 0.00000 0.50000 0.00000 0.11000 0.06827 KA 0.00000 0.50000 0.00000 0.04000 0.06827 CaA 0.00000 0.50000 0.00000 0.16000 0.06827 NaAm 0.05760 0.50000 0.12120 0.11000 0.01773 KAm 0.05760 0.50000 0.12120 0.04000 0.01773 CaAm 0.05760 0.50000 0.12120 0.16000 0.01773 NaA2 0.00000 0.46800 0.00000 0.11000 0.03445 KA2 0.00000 0.46800 0.00000 0.04000 0.03445 CaA2 0.00000 0.46800 0.00000 0.16000 0.03445