data_global _chemical_name_mineral 'Astrophyllite' loop_ _publ_author_name 'Woodrow P J' _journal_name_full 'Acta Crystallographica' _journal_volume 22 _journal_year 1967 _journal_page_first 673 _journal_page_last 678 _publ_section_title ; The crystal structure of astrophyllite ; _database_code_amcsd 0009310 _chemical_compound_source 'El Paso County, Colorado, USA' _chemical_formula_sum 'K1.8 Na1.2 (Fe6.3 Mn.7) (Ti1.6 Nb.2 Zr.1 Sn.1) Si8 O31' _cell_length_a 5.36 _cell_length_b 11.76 _cell_length_c 21.07999 _cell_angle_alpha 85.13 _cell_angle_beta 90. _cell_angle_gamma 103.22 _cell_volume 1288.607 _exptl_crystal_density_diffrn 3.415 _symmetry_space_group_name_H-M 'A -1' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,1/2+y,1/2+z' '-x,-y,-z' '-x,1/2-y,1/2-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 0.40000 0.23500 0.00200 0.90000 0.03983 NaK1 0.40000 0.23500 0.00200 0.10000 0.03983 Na 0.00000 0.50000 0.00000 1.00000 0.03436 Fe1 0.14000 0.03400 0.26000 0.90000 0.00673 Mn1 0.14000 0.03400 0.26000 0.10000 0.00673 Fe2 0.71000 0.17600 0.25600 0.90000 0.00979 Mn2 0.71000 0.17600 0.25600 0.10000 0.00979 Fe3 0.57000 0.89100 0.25700 0.90000 0.00970 Mn3 0.57000 0.89100 0.25700 0.10000 0.00970 Fe4 0.00000 0.75000 0.25000 0.90000 0.01206 Mn4 0.00000 0.75000 0.25000 0.10000 0.01206 Ti1 0.51000 0.48800 0.09700 0.80000 0.00258 NbTi1 0.51000 0.48800 0.09700 0.10000 0.00258 ZrTi1 0.51000 0.48800 0.09700 0.05000 0.00258 SnTi1 0.51000 0.48800 0.09700 0.05000 0.00258 Si1 0.81000 0.04900 0.13000 1.00000 0.02446 Si2 0.98000 0.31400 0.11800 1.00000 0.02289 Si3 0.09000 0.65400 0.11500 1.00000 0.02253 Si4 0.24000 0.92000 0.12800 1.00000 0.02472 O1 0.81000 0.03700 0.20200 1.00000 0.03067 O2 0.38000 0.17800 0.20400 1.00000 0.03009 O3 0.95000 0.32100 0.19300 1.00000 0.03135 O4 0.53000 0.47400 0.18700 1.00000 0.03042 O5 0.10000 0.62400 0.19400 1.00000 0.03038 O6 0.67000 0.76500 0.20100 1.00000 0.02997 O7 0.24000 0.90700 0.20300 1.00000 0.03050 O8 0.88000 0.17900 0.09900 1.00000 0.03121 O9 0.27000 0.35600 0.08500 1.00000 0.03118 O10 0.79000 0.39000 0.08600 1.00000 0.03002 O11 0.29000 0.59300 0.08300 1.00000 0.03166 O12 0.80000 0.62200 0.08500 1.00000 0.03107 O13 0.19000 0.80100 0.09800 1.00000 0.03132 O14 0.52000 0.99400 0.10300 1.00000 0.02971 O15 0.03000 0.98500 0.09900 1.00000 0.03056 O16 0.50000 0.50000 0.00000 1.00000 0.03211