data_global _chemical_name_mineral 'Babingtonite' loop_ _publ_author_name 'Araki T' 'Zoltai T' _journal_name_full 'Zeitschrift fur Kristallographie' _journal_volume 135 _journal_year 1972 _journal_page_first 355 _journal_page_last 373 _publ_section_title ; Crystal structure of babingtonite ; _database_code_amcsd 0010730 _chemical_compound_source 'Yakuki mine, Japan' _chemical_formula_sum 'Ca1.925 Mn.3 Na.015 K.015 Fe1.615 Mg.13 Al.09 Si4.915 (O15 H)' _cell_length_a 7.509 _cell_length_b 11.697 _cell_length_c 6.719 _cell_angle_alpha 91.433 _cell_angle_beta 93.886 _cell_angle_gamma 104.255 _cell_volume 570.132 _exptl_crystal_density_diffrn 3.317 _symmetry_space_group_name_H-M 'P -1' loop_ _space_group_symop_operation_xyz 'x,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 Ca1 0.78195 0.94185 0.14246 0.96250 0.01049 Mn1 0.78195 0.94185 0.14246 0.02750 0.01049 Na1 0.78195 0.94185 0.14246 0.00750 0.01049 K1 0.78195 0.94185 0.14246 0.00750 0.01049 Ca2 0.23789 0.52034 0.30414 0.96250 0.00881 Mn2 0.23789 0.52034 0.30414 0.02750 0.00881 Na2 0.23789 0.52034 0.30414 0.00750 0.00881 K2 0.23789 0.52034 0.30414 0.00750 0.00881 Fe2+ 0.59363 0.64411 0.06137 0.63000 0.00627 Mn2+ 0.59363 0.64411 0.06137 0.24500 0.00627 Mg 0.59363 0.64411 0.06137 0.13000 0.00627 Fe3+ 0.04655 0.23532 0.18443 0.98500 0.00709 Al 0.04655 0.23532 0.18443 0.00500 0.00709 Si1 0.28767 0.05351 0.34126 0.98300 0.00733 Al1 0.28767 0.05351 0.34126 0.01700 0.00733 Si2 0.46011 0.31355 0.42474 0.98300 0.00661 Al2 0.46011 0.31355 0.42474 0.01700 0.00661 Si3 0.80613 0.44506 0.20977 0.98300 0.00628 Al3 0.80613 0.44506 0.20977 0.01700 0.00628 Si4 0.98773 0.71336 0.30999 0.98300 0.00662 Al4 0.98773 0.71336 0.30999 0.01700 0.00662 Si5 0.32721 0.83592 0.10650 0.98300 0.00737 Al5 0.32721 0.83592 0.10650 0.01700 0.00737 O-H1 0.19767 0.98774 0.53409 1.00000 0.01341 O2 0.13003 0.08047 0.18484 1.00000 0.00887 O3 0.43302 0.17111 0.43607 1.00000 0.01123 O4 0.31691 0.33841 0.24601 1.00000 0.00909 O5 0.55045 0.62029 0.36622 1.00000 0.00937 O6 0.67737 0.37087 0.37284 1.00000 0.00955 O7 0.96850 0.38455 0.15858 1.00000 0.00951 O8 0.67837 0.47453 0.02701 1.00000 0.00870 O9 0.92555 0.56897 0.33717 1.00000 0.00870 O10 0.87215 0.75533 0.12528 1.00000 0.00956 O11 0.02110 0.22100 0.47837 1.00000 0.01130 O12 0.20394 0.73700 0.24969 1.00000 0.00979 O13 0.50958 0.79949 0.05626 1.00000 0.01126 O14 0.80576 0.14201 0.08167 1.00000 0.01031 O15 0.39447 0.96755 0.22562 1.00000 0.01150