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: C1 ; _database_code_amcsd 0001823 _chemical_formula_sum 'O22.54 (F1.46 Si6.28) Al2.5 Mg3.79 Fe.45 Ti.02 Ca4.73 Mn.08 Na.7 K.05 H.54' _cell_length_a 9.816 _cell_length_b 17.899 _cell_length_c 5.297 _cell_angle_alpha 90 _cell_angle_beta 105.35 _cell_angle_gamma 90 _cell_volume 897.465 _exptl_crystal_density_diffrn 3.563 _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 0.10570 0.08750 0.21560 1.00000 0.01026 O2 0.11970 0.17300 0.73670 1.00000 0.00887 O-H3 0.10760 0.00000 0.71490 0.27000 0.01241 F3 0.10760 0.00000 0.71490 0.73000 0.01241 O4 0.36740 0.25170 0.78950 1.00000 0.01165 O5 0.35320 0.14130 0.11490 1.00000 0.01279 O6 0.34570 0.11670 0.61420 1.00000 0.01368 O7 0.34510 0.00000 0.27550 1.00000 0.01532 Si1 0.28190 0.08550 0.30440 0.57000 0.00633 Al1 0.28190 0.08550 0.30440 0.43000 0.00633 Si2 0.29190 0.17370 0.81560 1.00000 0.00633 Mg1 0.00000 0.08940 0.50000 0.94000 0.00735 Fe1 0.00000 0.08940 0.50000 0.06000 0.00735 Mg2 0.00000 0.17530 0.00000 0.49000 0.00709 Al2 0.00000 0.17530 0.00000 0.39000 0.00709 Ti2 0.00000 0.17530 0.00000 0.01000 0.00709 Fe2 0.00000 0.17530 0.00000 0.11000 0.00709 Mg3 0.00000 0.00000 0.00000 0.93000 0.00735 Fe3 0.00000 0.00000 0.00000 0.07000 0.00735 Ca4 0.00000 0.27950 0.50000 0.97000 0.00899 Mn4 0.00000 0.27950 0.50000 0.02000 0.00899 Fe4 0.00000 0.27950 0.50000 0.01000 0.00899 Ca4* 0.00000 0.26570 0.50000 0.97000 0.03369 Mn4* 0.00000 0.26570 0.50000 0.02000 0.03369 Fe4* 0.00000 0.26570 0.50000 0.01000 0.03369 NaA 0.00000 0.50000 0.00000 0.14000 0.06206 KA 0.00000 0.50000 0.00000 0.01000 0.06206 CaA 0.00000 0.50000 0.00000 0.17000 0.06206 NaAm 0.05150 0.50000 0.10890 0.14000 0.04762 KAm 0.05150 0.50000 0.10890 0.01000 0.04762 CaAm 0.05150 0.50000 0.10890 0.17000 0.04762 NaA2 0.00000 0.46750 0.00000 0.14000 0.02508 KA2 0.00000 0.46750 0.00000 0.01000 0.02508 CaAm 0.00000 0.46750 0.00000 0.17000 0.02508