data_global _chemical_name_mineral 'Kinoshitalite' loop_ _publ_author_name 'Brigatti M F' 'Poppi L' _journal_name_full 'European Journal of Mineralogy' _journal_volume 5 _journal_year 1993 _journal_page_first 857 _journal_page_last 871 _publ_section_title ; Crystal chemistry of Ba-rich trioctahedral micas-1M Sample: 27 ; _database_code_amcsd 0006503 _chemical_formula_sum 'O11.286 (F.714 K.408) Na.039 Ca.01 Ba.543 Al1.997 Fe.272 Mg2.533 Mn.004 Ti.026 Si2.168 H1.286' _cell_length_a 5.318 _cell_length_b 9.214 _cell_length_c 10.164 _cell_angle_alpha 90 _cell_angle_beta 100.11 _cell_angle_gamma 90 _cell_volume 490.303 _exptl_crystal_density_diffrn 3.253 _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 O1 -0.00290 0.00000 0.16410 1.00000 0.02571 O2 0.33420 0.22110 0.16380 1.00000 0.02596 O3 0.13110 0.16630 0.39090 1.00000 0.01938 O-H4 0.13100 0.50000 0.39880 0.64320 0.01874 F4 0.13100 0.50000 0.39880 0.35680 0.01874 K 0.00000 0.50000 0.00000 0.40770 0.02748 Na 0.00000 0.50000 0.00000 0.03900 0.02748 Ca 0.00000 0.50000 0.00000 0.01050 0.02748 Ba 0.00000 0.50000 0.00000 0.54280 0.02748 AlM2 0.00000 0.33070 0.50000 0.05500 0.01697 FeM2 0.00000 0.33070 0.50000 0.09070 0.01697 MgM2 0.00000 0.33070 0.50000 0.84450 0.01697 MnM2 0.00000 0.33070 0.50000 0.00130 0.01697 TiM2 0.00000 0.33070 0.50000 0.00850 0.01697 AlM1 0.00000 0.00000 0.50000 0.05500 0.01621 FeM1 0.00000 0.00000 0.50000 0.09070 0.01621 MgM1 0.00000 0.00000 0.50000 0.84450 0.01621 MnM1 0.00000 0.00000 0.50000 0.00130 0.01621 TiM1 0.00000 0.00000 0.50000 0.00850 0.01621 SiT 0.07530 0.16660 0.22440 0.54210 0.01659 AlT 0.07530 0.16660 0.22440 0.45790 0.01659 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 O1 0.03027 0.02366 0.02232 0.00000 0.00027 0.00000 O2 0.02499 0.03140 0.02232 -0.00660 0.00663 -0.00327 O3 0.01819 0.01978 0.02029 0.00000 0.00345 -0.00047 O-H4 0.01666 0.02021 0.01927 0.00000 0.00292 0.00000 F4 0.01666 0.02021 0.01927 0.00000 0.00292 0.00000 K 0.02583 0.02753 0.02942 0.00000 0.00504 0.00000 Na 0.02583 0.02753 0.02942 0.00000 0.00504 0.00000 Ca 0.02583 0.02753 0.02942 0.00000 0.00504 0.00000 Ba 0.02583 0.02753 0.02942 0.00000 0.00504 0.00000 AlM2 0.01458 0.01677 0.01927 0.00000 0.00318 0.00000 FeM2 0.01458 0.01677 0.01927 0.00000 0.00318 0.00000 MgM2 0.01458 0.01677 0.01927 0.00000 0.00318 0.00000 MnM2 0.01458 0.01677 0.01927 0.00000 0.00318 0.00000 TiM2 0.01458 0.01677 0.01927 0.00000 0.00318 0.00000 AlM1 0.01430 0.01591 0.01877 0.00000 0.00345 0.00000 FeM1 0.01430 0.01591 0.01877 0.00000 0.00345 0.00000 MgM1 0.01430 0.01591 0.01877 0.00000 0.00345 0.00000 MnM1 0.01430 0.01591 0.01877 0.00000 0.00345 0.00000 TiM1 0.01430 0.01591 0.01877 0.00000 0.00345 0.00000 SiT 0.01527 0.01720 0.01725 0.00000 0.00318 -0.00047 AlT 0.01527 0.01720 0.01725 0.00000 0.00318 -0.00047