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: 26 ; _database_code_amcsd 0006502 _chemical_formula_sum 'O11.331 (F.669 K.475) Na.041 Ca.004 Ba.481 Al2.003 Fe.295 Mg2.441 Mn.019 Ti.043 Si2.199 H1.331' _cell_length_a 5.322 _cell_length_b 9.209 _cell_length_c 10.163 _cell_angle_alpha 90 _cell_angle_beta 100.17 _cell_angle_gamma 90 _cell_volume 490.266 _exptl_crystal_density_diffrn 3.222 _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 -0.00320 0.00000 0.16410 1.00000 0.02761 O2 0.33410 0.22060 0.16390 1.00000 0.02786 O3 0.13070 0.16640 0.39110 1.00000 0.01976 O-H4 0.13130 0.50000 0.39850 0.66570 0.02115 F4 0.13130 0.50000 0.39850 0.33430 0.02115 K 0.00000 0.50000 0.00000 0.47450 0.02634 Na 0.00000 0.50000 0.00000 0.04050 0.02634 Ca 0.00000 0.50000 0.00000 0.00450 0.02634 Ba 0.00000 0.50000 0.00000 0.48050 0.02634 AlM2 0.00000 0.33060 0.50000 0.06720 0.01811 FeM2 0.00000 0.33060 0.50000 0.09830 0.01811 MgM2 0.00000 0.33060 0.50000 0.81370 0.01811 MnM2 0.00000 0.33060 0.50000 0.00630 0.01811 TiM2 0.00000 0.33060 0.50000 0.01450 0.01811 AlM1 0.00000 0.00000 0.50000 0.06720 0.02102 FeM1 0.00000 0.00000 0.50000 0.09830 0.02102 MgM1 0.00000 0.00000 0.50000 0.81370 0.02102 MnM1 0.00000 0.00000 0.50000 0.00630 0.02102 TiM1 0.00000 0.00000 0.50000 0.01450 0.02102 SiT 0.07550 0.16670 0.22460 0.54970 0.01824 AlT 0.07550 0.16670 0.22460 0.45030 0.01824 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 0.03336 0.02320 0.02484 0.00000 -0.00027 0.00000 O2 0.02586 0.03308 0.02484 -0.00831 0.00451 -0.00327 O3 0.01905 0.01847 0.02180 0.00024 0.00265 0.00000 O-H4 0.01863 0.02191 0.02231 0.00000 0.00186 0.00000 F4 0.01863 0.02191 0.02231 0.00000 0.00186 0.00000 K 0.02322 0.02492 0.03042 0.00000 0.00372 0.00000 Na 0.02322 0.02492 0.03042 0.00000 0.00372 0.00000 Ca 0.02322 0.02492 0.03042 0.00000 0.00372 0.00000 Ba 0.02322 0.02492 0.03042 0.00000 0.00372 0.00000 AlM2 0.01446 0.01847 0.02078 0.00000 0.00159 0.00000 FeM2 0.01446 0.01847 0.02078 0.00000 0.00159 0.00000 MgM2 0.01446 0.01847 0.02078 0.00000 0.00159 0.00000 MnM2 0.01446 0.01847 0.02078 0.00000 0.00159 0.00000 TiM2 0.01446 0.01847 0.02078 0.00000 0.00159 0.00000 AlM1 0.01752 0.02148 0.02383 0.00000 0.00265 0.00000 FeM1 0.01752 0.02148 0.02383 0.00000 0.00265 0.00000 MgM1 0.01752 0.02148 0.02383 0.00000 0.00265 0.00000 MnM1 0.01752 0.02148 0.02383 0.00000 0.00265 0.00000 TiM1 0.01752 0.02148 0.02383 0.00000 0.00265 0.00000 SiT 0.01599 0.01847 0.01977 0.00000 0.00212 0.00000 AlT 0.01599 0.01847 0.01977 0.00000 0.00212 0.00000