data_global _chemical_name_mineral 'Phlogopite' loop_ _publ_author_name 'Brigatti M F' 'Caprilli E' 'Funiciello R' 'Giordano G' 'Mottana A' 'Poppi L' _journal_name_full 'European Journal of Mineralogy' _journal_volume 17 _journal_year 2005 _journal_page_first 611 _journal_page_last 621 _publ_section_title ; Crystal chemisty of ferroan phlogopites from the Albano maar lake (Colli Albani volcano, central Italy) Sample: 8A ; _database_code_amcsd 0007127 _chemical_compound_source 'Colli Albani volcano, central Italy' _chemical_formula_sum 'Ba.023 K.976 Al1.364 Ti.381 Cr.003 Fe1.287 Mg1.08 Mn.009 Si2.84 O12' _cell_length_a 5.334 _cell_length_b 9.240 _cell_length_c 20.064 _cell_angle_alpha 90 _cell_angle_beta 95.17 _cell_angle_gamma 90 _cell_volume 984.854 _exptl_crystal_density_diffrn 3.149 _symmetry_space_group_name_H-M 'C 1 2/c 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,z' 'x,-y,1/2+z' '1/2+x,1/2-y,1/2+z' '-x,y,1/2-z' '1/2-x,1/2+y,1/2-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 BaA 0.00000 0.08460 0.25000 0.02300 0.02951 KA 0.00000 0.08460 0.25000 0.97600 0.02951 AlM1 0.75000 0.25000 0.00000 0.06800 0.00861 TiM1 0.75000 0.25000 0.00000 0.12700 0.00861 Cr3+M1 0.75000 0.25000 0.00000 0.00100 0.00861 Fe2+M1 0.75000 0.25000 0.00000 0.42900 0.00861 MgM1 0.75000 0.25000 0.00000 0.36000 0.00861 MnM1 0.75000 0.25000 0.00000 0.00300 0.00861 AlM2 0.23910 0.07947 -0.00008 0.06800 0.01153 TiM2 0.23910 0.07947 -0.00008 0.12700 0.01153 Cr3+M2 0.23910 0.07947 -0.00008 0.00100 0.01153 Fe2+M2 0.23910 0.07947 -0.00008 0.42900 0.01153 MgM2 0.23910 0.07947 -0.00008 0.36000 0.01153 MnM2 0.23910 0.07947 -0.00008 0.00300 0.01153 SiT1 0.46150 0.25020 0.13809 0.71000 0.00735 AlT1 0.46150 0.25020 0.13809 0.29000 0.00735 SiT2 0.96430 0.41730 0.13824 0.71000 0.00785 AlT2 0.96430 0.41730 0.13824 0.29000 0.00785 O1 0.73920 0.31630 0.16560 1.00000 0.01849 O2 0.23870 0.34980 0.16710 1.00000 0.01811 O22 0.43940 0.08390 0.16710 1.00000 0.01773 O3 0.42850 0.24690 0.05430 1.00000 0.01203 O32 0.93930 0.41740 0.05468 1.00000 0.01153 O4 0.93440 0.07970 0.05068 1.00000 0.01191 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 BaA 0.02731 0.02725 0.03439 0.00000 0.00323 0.00000 KA 0.02731 0.02725 0.03439 0.00000 0.00323 0.00000 AlM1 0.00643 0.00692 0.01214 0.00149 0.00161 0.00094 TiM1 0.00643 0.00692 0.01214 0.00149 0.00161 0.00094 Cr3+M1 0.00643 0.00692 0.01214 0.00149 0.00161 0.00094 Fe2+M1 0.00643 0.00692 0.01214 0.00149 0.00161 0.00094 MgM1 0.00643 0.00692 0.01214 0.00149 0.00161 0.00094 MnM1 0.00643 0.00692 0.01214 0.00149 0.00161 0.00094 AlM2 0.01330 0.00908 0.01214 0.00647 0.00054 0.00374 TiM2 0.01330 0.00908 0.01214 0.00647 0.00054 0.00374 Cr3+M2 0.01330 0.00908 0.01214 0.00647 0.00054 0.00374 Fe2+M2 0.01330 0.00908 0.01214 0.00647 0.00054 0.00374 MgM2 0.01330 0.00908 0.01214 0.00647 0.00054 0.00374 MnM2 0.01330 0.00908 0.01214 0.00647 0.00054 0.00374 SiT1 0.00672 0.00779 0.00809 0.00025 0.00054 -0.00094 AlT1 0.00672 0.00779 0.00809 0.00025 0.00054 -0.00094 SiT2 0.00629 0.00735 0.01011 0.00025 0.00108 0.00094 AlT2 0.00629 0.00735 0.01011 0.00025 0.00108 0.00094 O1 0.01644 0.02465 0.01416 -0.00671 -0.00161 0.00187 O2 0.01630 0.02206 0.01618 0.00721 -0.00054 0.00094 O22 0.02788 0.01298 0.01416 0.00174 0.00430 -0.00187 O3 0.01072 0.01211 0.01416 0.00647 -0.00108 -0.00187 O32 0.01244 0.01427 0.00809 0.00845 0.00269 0.00094 O4 0.01372 0.01254 0.01011 0.01194 0.00108 0.00094