data_global _chemical_name_mineral 'Ferrokinoshitalite' loop_ _publ_author_name 'Guggenheim S' 'Frimmel H E' _journal_name_full 'The Canadian Mineralogist' _journal_volume 37 _journal_year 1999 _journal_page_first 1445 _journal_page_last 1452 _publ_section_title ; Ferrokinoshitalite, a new species of brittle mica from the Broken Hill Mine, South Africa: Structural and mineralogical characterization ; _database_code_amcsd 0005634 _chemical_compound_source 'Broken Hill Mine, South Africa' _chemical_formula_sum '(Ba.56 K.39 Na.05) (Fe1.95 Mg.78 Mn.09 Ti.18) (Si2.44 Al1.56) O11.36 (F.64 H1.36)' _cell_length_a 5.389 _cell_length_b 9.337 _cell_length_c 10.054 _cell_angle_alpha 90 _cell_angle_beta 100.53 _cell_angle_gamma 90 _cell_volume 497.369 _exptl_crystal_density_diffrn 3.610 _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 Ba 0.00000 0.50000 0.00000 0.56000 K 0.00000 0.50000 0.00000 0.39000 Na 0.00000 0.50000 0.00000 0.05000 Fe1 0.00000 0.00000 0.50000 0.65000 Mg1 0.00000 0.00000 0.50000 0.26000 Mn1 0.00000 0.00000 0.50000 0.03000 Ti1 0.00000 0.00000 0.50000 0.06000 Fe2 0.00000 0.33310 0.50000 0.65000 Mg2 0.00000 0.33310 0.50000 0.26000 Mn2 0.00000 0.33310 0.50000 0.03000 Ti2 0.00000 0.33310 0.50000 0.06000 Si 0.07450 0.16640 0.21990 0.61000 Al 0.07450 0.16640 0.21990 0.39000 O1 0.03330 0.00000 0.15780 1.00000 O2 0.31340 0.24000 0.15860 1.00000 O3 0.13190 0.16590 0.38830 1.00000 O-H 0.12290 0.50000 0.38710 0.68000 F 0.12290 0.50000 0.38710 0.32000 loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 Ba 0.01991 0.01705 0.03321 0.00000 0.01008 0.00000 K 0.01991 0.01705 0.03321 0.00000 0.01008 0.00000 Na 0.01991 0.01705 0.03321 0.00000 0.01008 0.00000 Fe1 0.00995 0.00574 0.01683 0.00000 0.00743 0.00000 Mg1 0.00995 0.00574 0.01683 0.00000 0.00743 0.00000 Mn1 0.00995 0.00574 0.01683 0.00000 0.00743 0.00000 Ti1 0.00995 0.00574 0.01683 0.00000 0.00743 0.00000 Fe2 0.00782 0.00892 0.01604 0.00000 0.00318 0.00000 Mg2 0.00782 0.00892 0.01604 0.00000 0.00318 0.00000 Mn2 0.00782 0.00892 0.01604 0.00000 0.00318 0.00000 Ti2 0.00782 0.00892 0.01604 0.00000 0.00318 0.00000 Si 0.01081 0.00852 0.01500 0.00000 0.00451 -0.00094 Al 0.01081 0.00852 0.01500 0.00000 0.00451 -0.00094 O1 0.03840 0.01502 0.01336 0.00000 0.00265 0.00000 O2 0.02275 0.02827 0.01930 -0.02005 0.00743 -0.00468 O3 0.01408 0.01325 0.01782 0.00000 0.00690 -0.00234 O-H 0.01422 0.01237 0.03118 0.00000 0.01061 0.00000 F 0.01422 0.01237 0.03118 0.00000 0.01061 0.00000