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: CA2 ; _database_code_amcsd 0007123 _chemical_compound_source 'Colli Albani volcano, central Italy' _chemical_formula_sum 'Ca.002 Ba.099 K.938 Al1.616 Ti.012 Cr.003 Fe.219 Mg2.409 Mn.006 Si2.708 O12' _cell_length_a 5.318 _cell_length_b 9.203 _cell_length_c 10.259 _cell_angle_alpha 90 _cell_angle_beta 99.96 _cell_angle_gamma 90 _cell_volume 494.524 _exptl_crystal_density_diffrn 2.914 _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 0.00200 0.02748 BaA 0.00000 0.50000 0.00000 0.09900 0.02748 KA 0.00000 0.50000 0.00000 0.93800 0.02748 AlM1 0.00000 0.00000 0.50000 0.10800 0.00709 TiM1 0.00000 0.00000 0.50000 0.00400 0.00709 Cr3+M1 0.00000 0.00000 0.50000 0.00100 0.00709 Fe2+M1 0.00000 0.00000 0.50000 0.07300 0.00709 MgM1 0.00000 0.00000 0.50000 0.80300 0.00709 MnM1 0.00000 0.00000 0.50000 0.00200 0.00709 AlM2 0.00000 0.33200 0.50000 0.10800 0.00684 TiM2 0.00000 0.33200 0.50000 0.00400 0.00684 Cr3+M2 0.00000 0.33200 0.50000 0.00100 0.00684 Fe2+M2 0.00000 0.33200 0.50000 0.07300 0.00684 MgM2 0.00000 0.33200 0.50000 0.80300 0.00684 MnM2 0.00000 0.33200 0.50000 0.00200 0.00684 SiT 0.07610 0.16670 0.22800 0.67700 0.00722 AlT 0.07610 0.16670 0.22800 0.32300 0.00722 O1 0.00750 0.00000 0.17050 1.00000 0.01507 O2 0.33160 0.22510 0.17060 1.00000 0.01520 O3 0.13070 0.16680 0.39160 1.00000 0.00798 O4 0.13300 0.50000 0.39940 1.00000 0.00798 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 0.03183 0.02703 0.02379 0.00000 0.00429 0.00000 BaA 0.03183 0.02703 0.02379 0.00000 0.00429 0.00000 KA 0.03183 0.02703 0.02379 0.00000 0.00429 0.00000 AlM1 0.00709 0.00343 0.01086 0.00000 0.00241 0.00000 TiM1 0.00709 0.00343 0.01086 0.00000 0.00241 0.00000 Cr3+M1 0.00709 0.00343 0.01086 0.00000 0.00241 0.00000 Fe2+M1 0.00709 0.00343 0.01086 0.00000 0.00241 0.00000 MgM1 0.00709 0.00343 0.01086 0.00000 0.00241 0.00000 MnM1 0.00709 0.00343 0.01086 0.00000 0.00241 0.00000 AlM2 0.00612 0.00343 0.01086 0.00000 0.00134 0.00000 TiM2 0.00612 0.00343 0.01086 0.00000 0.00134 0.00000 Cr3+M2 0.00612 0.00343 0.01086 0.00000 0.00134 0.00000 Fe2+M2 0.00612 0.00343 0.01086 0.00000 0.00134 0.00000 MgM2 0.00612 0.00343 0.01086 0.00000 0.00134 0.00000 MnM2 0.00612 0.00343 0.01086 0.00000 0.00134 0.00000 SiT 0.00764 0.00429 0.00983 0.00000 0.00161 0.00000 AlT 0.00764 0.00429 0.00983 0.00000 0.00161 0.00000 O1 0.02154 0.00858 0.01345 0.00000 -0.00080 0.00000 O2 0.01557 0.01716 0.01345 -0.00488 0.00456 -0.00330 O3 0.00903 0.00515 0.00983 0.00049 0.00188 -0.00047 O4 0.00848 0.00601 0.00983 0.00000 0.00188 0.00000