data_global _chemical_name_mineral 'Phlogopite' 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: 21 ; _database_code_amcsd 0006497 _chemical_formula_sum 'O11.835 F.165 (K.919 Na.049 Ba.032) Al1.457 Fe.695 Mg1.997 Mn.004 Ti.166 Si2.68 H1.265' _cell_length_a 5.326 _cell_length_b 9.222 _cell_length_c 10.223 _cell_angle_alpha 90 _cell_angle_beta 100.04 _cell_angle_gamma 90 _cell_volume 494.427 _exptl_crystal_density_diffrn 2.991 _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 0.00900 0.00000 0.16990 1.00000 0.02812 O2 0.33000 0.22640 0.16910 1.00000 0.02774 O3 0.13040 0.16750 0.39130 1.00000 0.02014 O-H4 0.13260 0.50000 0.39920 0.63250 0.01988 F4 0.13260 0.50000 0.39920 0.08230 0.01988 O4 0.13260 0.50000 0.39920 0.28520 0.01988 K 0.00000 0.50000 0.00000 0.91900 0.03762 Na 0.00000 0.50000 0.00000 0.04900 0.03762 Ba 0.00000 0.50000 0.00000 0.03200 0.03762 AlM2 0.00000 0.33540 0.50000 0.04580 0.02064 FeM2 0.00000 0.33540 0.50000 0.23180 0.02064 MgM2 0.00000 0.33540 0.50000 0.66550 0.02064 MnM2 0.00000 0.33540 0.50000 0.00150 0.02064 TiM2 0.00000 0.33540 0.50000 0.05530 0.02064 AlM1 0.00000 0.00000 0.50000 0.04580 0.01887 FeM1 0.00000 0.00000 0.50000 0.23180 0.01887 MgM1 0.00000 0.00000 0.50000 0.66550 0.01887 MnM1 0.00000 0.00000 0.50000 0.00150 0.01887 TiM1 0.00000 0.00000 0.50000 0.05530 0.01887 SiT 0.07520 0.16680 0.22620 0.67010 0.01722 AlT 0.07520 0.16680 0.22620 0.32990 0.01722 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 0.03470 0.02068 0.02772 0.00000 0.00267 0.00000 O2 0.02578 0.03145 0.02669 -0.00564 0.00749 -0.00329 O3 0.02034 0.01810 0.02259 0.00025 0.00481 0.00047 O-H4 0.01867 0.01939 0.02207 0.00000 0.00428 0.00000 F4 0.01867 0.01939 0.02207 0.00000 0.00428 0.00000 O4 0.01867 0.01939 0.02207 0.00000 0.00428 0.00000 K 0.03776 0.03576 0.03953 0.00000 0.00802 0.00000 Na 0.03776 0.03576 0.03953 0.00000 0.00802 0.00000 Ba 0.03776 0.03576 0.03953 0.00000 0.00802 0.00000 AlM2 0.01700 0.02025 0.02515 0.00000 0.00481 0.00000 FeM2 0.01700 0.02025 0.02515 0.00000 0.00481 0.00000 MgM2 0.01700 0.02025 0.02515 0.00000 0.00481 0.00000 MnM2 0.01700 0.02025 0.02515 0.00000 0.00481 0.00000 TiM2 0.01700 0.02025 0.02515 0.00000 0.00481 0.00000 AlM1 0.01714 0.01465 0.02567 0.00000 0.00669 0.00000 FeM1 0.01714 0.01465 0.02567 0.00000 0.00669 0.00000 MgM1 0.01714 0.01465 0.02567 0.00000 0.00669 0.00000 MnM1 0.01714 0.01465 0.02567 0.00000 0.00669 0.00000 TiM1 0.01714 0.01465 0.02567 0.00000 0.00669 0.00000 SiT 0.01602 0.01465 0.02156 0.00000 0.00481 -0.00047 AlT 0.01602 0.01465 0.02156 0.00000 0.00481 -0.00047