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: 19 ; _database_code_amcsd 0006495 _chemical_formula_sum 'O11.767 F.233 K.896 Na.074 Ca.004 Ba.026 Al1.269 Fe.989 Mg1.611 Mn.01 Ti.371 Si2.748 H.843' _cell_length_a 5.331 _cell_length_b 9.230 _cell_length_c 10.160 _cell_angle_alpha 90 _cell_angle_beta 100.19 _cell_angle_gamma 90 _cell_volume 492.039 _exptl_crystal_density_diffrn 3.093 _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 0.01650 0.00000 0.16820 1.00000 0.03040 O2 0.32380 0.23050 0.16740 1.00000 0.03065 O3 0.13160 0.16790 0.39120 1.00000 0.02191 O-H4 0.12980 0.50000 0.39880 0.42130 0.02204 F4 0.12980 0.50000 0.39880 0.11630 0.02204 O4 0.12980 0.50000 0.39880 0.46240 0.02204 K 0.00000 0.50000 0.00000 0.89650 0.04420 Na 0.00000 0.50000 0.00000 0.07400 0.04420 Ca 0.00000 0.50000 0.00000 0.00350 0.04420 Ba 0.00000 0.50000 0.00000 0.02650 0.04420 AlM2 0.00000 0.33770 0.50000 0.00570 0.02419 FeM2 0.00000 0.33770 0.50000 0.32970 0.02419 MgM2 0.00000 0.33770 0.50000 0.53700 0.02419 MnM2 0.00000 0.33770 0.50000 0.00320 0.02419 TiM2 0.00000 0.33770 0.50000 0.12370 0.02419 AlM1 0.00000 0.00000 0.50000 0.00570 0.02153 FeM1 0.00000 0.00000 0.50000 0.32970 0.02153 MgM1 0.00000 0.00000 0.50000 0.53700 0.02153 MnM1 0.00000 0.00000 0.50000 0.00320 0.02153 TiM1 0.00000 0.00000 0.50000 0.12370 0.02153 SiT 0.07440 0.16710 0.22410 0.68710 0.01900 AlT 0.07440 0.16710 0.22410 0.31290 0.01900 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 0.03780 0.02849 0.02128 0.00000 -0.00159 0.00000 O2 0.02789 0.03971 0.02432 -0.00294 0.00452 -0.00234 O3 0.02218 0.02115 0.02229 0.00123 0.00372 0.00000 O-H4 0.02008 0.02590 0.01976 0.00000 0.00266 0.00000 F4 0.02008 0.02590 0.01976 0.00000 0.00266 0.00000 O4 0.02008 0.02590 0.01976 0.00000 0.00266 0.00000 K 0.04240 0.04316 0.04711 0.00000 0.00691 0.00000 Na 0.04240 0.04316 0.04711 0.00000 0.00691 0.00000 Ca 0.04240 0.04316 0.04711 0.00000 0.00691 0.00000 Ba 0.04240 0.04316 0.04711 0.00000 0.00691 0.00000 AlM2 0.02008 0.02762 0.02432 0.00000 0.00239 0.00000 FeM2 0.02008 0.02762 0.02432 0.00000 0.00239 0.00000 MgM2 0.02008 0.02762 0.02432 0.00000 0.00239 0.00000 MnM2 0.02008 0.02762 0.02432 0.00000 0.00239 0.00000 TiM2 0.02008 0.02762 0.02432 0.00000 0.00239 0.00000 AlM1 0.01953 0.02072 0.02432 0.00000 0.00346 0.00000 FeM1 0.01953 0.02072 0.02432 0.00000 0.00346 0.00000 MgM1 0.01953 0.02072 0.02432 0.00000 0.00346 0.00000 MnM1 0.01953 0.02072 0.02432 0.00000 0.00346 0.00000 TiM1 0.01953 0.02072 0.02432 0.00000 0.00346 0.00000 SiT 0.01813 0.01856 0.01976 0.00000 0.00186 -0.00094 AlT 0.01813 0.01856 0.01976 0.00000 0.00186 -0.00094