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: AA4 ; _database_code_amcsd 0007126 _chemical_compound_source 'Colli Albani volcano, central Italy' _chemical_formula_sum 'Ca.001 Ba.017 K.984 Al1.337 Ti.135 Fe.471 Mg2.334 Mn.003 Si2.72 O12' _cell_length_a 5.3288 _cell_length_b 9.227 _cell_length_c 10.246 _cell_angle_alpha 90 _cell_angle_beta 99.98 _cell_angle_gamma 90 _cell_volume 496.161 _exptl_crystal_density_diffrn 2.911 _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 CaA 0.00000 0.50000 0.00000 0.00100 0.02837 BaA 0.00000 0.50000 0.00000 0.01700 0.02837 KA 0.00000 0.50000 0.00000 0.98400 0.02837 AlM1 0.00000 0.00000 0.50000 0.01900 0.00798 TiM1 0.00000 0.00000 0.50000 0.04500 0.00798 Fe2+M1 0.00000 0.00000 0.50000 0.15700 0.00798 MgM1 0.00000 0.00000 0.50000 0.77800 0.00798 MnM1 0.00000 0.00000 0.50000 0.00100 0.00798 AlM2 0.00000 0.33560 0.50000 0.01900 0.00823 TiM2 0.00000 0.33560 0.50000 0.04500 0.00823 Fe2+M2 0.00000 0.33560 0.50000 0.15700 0.00823 MgM2 0.00000 0.33560 0.50000 0.77800 0.00823 MnM2 0.00000 0.33560 0.50000 0.00100 0.00823 SiT 0.07541 0.16680 0.22670 0.68000 0.00646 AlT 0.07541 0.16680 0.22670 0.32000 0.00646 O1 0.00880 0.00000 0.17010 1.00000 0.01545 O2 0.33010 0.22660 0.16940 1.00000 0.01469 O3 0.13060 0.16740 0.39170 1.00000 0.00887 O4 0.13210 0.50000 0.39920 1.00000 0.00836 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 CaA 0.02749 0.02976 0.02786 0.00000 0.00483 0.00000 BaA 0.02749 0.02976 0.02786 0.00000 0.00483 0.00000 KA 0.02749 0.02976 0.02786 0.00000 0.00483 0.00000 AlM1 0.00530 0.00690 0.01238 0.00000 0.00349 0.00000 TiM1 0.00530 0.00690 0.01238 0.00000 0.00349 0.00000 Fe2+M1 0.00530 0.00690 0.01238 0.00000 0.00349 0.00000 MgM1 0.00530 0.00690 0.01238 0.00000 0.00349 0.00000 MnM1 0.00530 0.00690 0.01238 0.00000 0.00349 0.00000 AlM2 0.00335 0.01121 0.01032 0.00000 0.00134 0.00000 TiM2 0.00335 0.01121 0.01032 0.00000 0.00134 0.00000 Fe2+M2 0.00335 0.01121 0.01032 0.00000 0.00134 0.00000 MgM2 0.00335 0.01121 0.01032 0.00000 0.00134 0.00000 MnM2 0.00335 0.01121 0.01032 0.00000 0.00134 0.00000 SiT 0.00447 0.00690 0.00825 0.00000 0.00134 0.00000 AlT 0.00447 0.00690 0.00825 0.00000 0.00134 0.00000 O1 0.01660 0.01466 0.01341 0.00000 -0.00268 0.00000 O2 0.01256 0.01941 0.01290 -0.00417 0.00429 -0.00283 O3 0.00740 0.00949 0.00980 -0.00025 0.00188 0.00094 O4 0.00572 0.00949 0.01032 0.00000 0.00241 0.00000