data_global _chemical_name_mineral 'Hastingsite' loop_ _publ_author_name 'Makino K' 'Tomita K' _journal_name_full 'American Mineralogist' _journal_volume 74 _journal_year 1989 _journal_page_first 1097 _journal_page_last 1105 _publ_section_title ; Cation distribution in the octahedral sites of hornblendes sample O-H from Obira, Japan ; _database_code_amcsd 0001269 _chemical_formula_sum 'Si6.32 Al1.68 (Mg.55 Fe4.45) Ca2 Na3.96 O24 H2' _cell_length_a 9.967 _cell_length_b 18.269 _cell_length_c 5.347 _cell_angle_alpha 90 _cell_angle_beta 104.97 _cell_angle_gamma 90 _cell_volume 940.576 _exptl_crystal_density_diffrn 3.679 _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 Si1 0.27740 0.08460 0.29580 0.58000 0.00570 Al1 0.27740 0.08460 0.29580 0.42000 0.00570 Si2 0.29150 0.17170 0.80890 1.00000 0.00659 Mg1 0.00000 0.09150 0.50000 0.06000 0.00671 Fe1 0.00000 0.09150 0.50000 0.94000 0.00671 Mg2 0.00000 0.17870 0.00000 0.15000 0.00469 Fe2 0.00000 0.17870 0.00000 0.85000 0.00469 Mg3 0.00000 0.00000 0.00000 0.13000 0.00481 Fe3 0.00000 0.00000 0.00000 0.87000 0.00481 Ca4 0.00000 0.28060 0.50000 1.00000 0.01153 NaAm 0.03650 0.50000 0.04720 0.99000 0.02204 NaA2 0.00000 0.47560 0.00000 0.99000 0.02444 O1 0.10480 0.08960 0.21160 1.00000 0.00697 O2 0.12270 0.17630 0.72970 1.00000 0.00963 O-H3 0.12350 0.00000 0.71400 1.00000 0.01444 O4 0.36610 0.24780 0.78930 1.00000 0.01317 O5 0.34420 0.13630 0.09910 1.00000 0.01330 O6 0.33970 0.11980 0.59200 1.00000 0.01203 O7 0.32990 0.00000 0.29280 1.00000 0.01393