data_global _chemical_name_mineral 'Delhayelite' loop_ _publ_author_name 'Cannillo E' 'Rossi G' 'Ungaretti L' _journal_name_full 'Rendiconti della Societa Italiana di Mineralogia e Petrologia' _journal_volume 26 _journal_year 1970 _journal_page_first 63 _journal_page_last 75 _publ_section_title ; The crystal structure of delhayelite ; _database_code_amcsd 0015364 _chemical_formula_sum 'K3.51 Na1.5 Ca2.5 Al Si7 O19 Cl.9 F2' _cell_length_a 24.86 _cell_length_b 7.07 _cell_length_c 6.53 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 1147.714 _exptl_crystal_density_diffrn 2.516 _symmetry_space_group_name_H-M 'P m m n' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,1/2-y,z' '-x,1/2+y,-z' '1/2-x,y,z' '1/2+x,-y,-z' '1/2+x,1/2+y,-z' '1/2-x,1/2-y,z' '-x,-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 K1 0.13220 0.25000 0.78040 0.88000 0.02470 K2 0.25000 0.25000 0.37210 0.90000 0.03496 K3 0.25000 0.75000 0.01950 0.85000 0.05636 Na 0.00000 0.00000 0.00000 0.75000 0.01355 CaNa 0.00000 0.00000 0.00000 0.25000 0.01355 Ca 0.00670 0.75000 0.50340 1.00000 0.01026 Al1 0.18280 0.75000 0.53420 0.50000 0.00747 Si1 0.11250 0.46560 0.28180 1.00000 0.00646 Si2 0.18280 0.75000 0.53420 0.50000 0.00747 Si3 0.10650 0.75000 0.91880 1.00000 0.00887 O1 0.05500 0.48180 0.38450 1.00000 0.04762 O2 0.16180 0.55100 0.41350 1.00000 0.05079 O3 0.11240 0.56750 0.06010 1.00000 0.04154 O4 0.04910 0.75000 0.81640 1.00000 0.02077 O5 0.15800 0.75000 0.77380 1.00000 0.03458 O6 0.12950 0.25000 0.24330 1.00000 0.03749 O7 0.25000 0.75000 0.53920 1.00000 0.02938 Cl 0.25000 0.25000 0.87930 0.90000 0.04851 F 0.02970 0.25000 0.81460 1.00000 0.02558