data_global _chemical_name_mineral 'Phlogopite' loop_ _publ_author_name 'Redhammer G J' 'Roth G' _journal_name_full 'American Mineralogist' _journal_volume 87 _journal_year 2002 _journal_page_first 1464 _journal_page_last 1476 _publ_section_title ; Single-crystal structure refinements and crystal chemistry of synthetic trioctahedral micas KM3(Al,Si)4O10(OH)2, where M = Ni, Mg, Co, Fe, Al Sample: A60#2 ; _database_code_amcsd 0002924 _chemical_formula_sum '(Al1.08 Si2.92) (Mg2.47 Fe.53) K O12 H2' _cell_length_a 5.3384 _cell_length_b 9.2465 _cell_length_c 10.3061 _cell_angle_alpha 90 _cell_angle_beta 99.951 _cell_angle_gamma 90 _cell_volume 501.071 _exptl_crystal_density_diffrn 2.876 _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 AlT 0.57557 0.16681 0.22750 0.27000 0.00735 SiT 0.57557 0.16681 0.22750 0.73000 0.00735 MgM1 0.00000 0.50000 0.50000 0.81000 0.00887 FeM1 0.00000 0.50000 0.50000 0.19000 0.00887 MgM2 0.00000 0.83449 0.50000 0.83000 0.00798 FeM2 0.00000 0.83449 0.50000 0.17000 0.00798 K 0.00000 0.00000 0.00000 1.00000 0.03242 O1 0.82792 0.22795 0.17027 1.00000 0.01900 O2 0.51183 0.00000 0.17102 1.00000 0.01976 O3 0.63012 0.16712 0.39127 1.00000 0.00899 O4 0.13300 0.00000 0.39854 1.00000 0.00963 H 0.11600 0.00000 0.29600 1.00000 0.02976 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 AlT 0.00560 0.00610 0.01030 -0.00020 0.00160 -0.00030 SiT 0.00560 0.00610 0.01030 -0.00020 0.00160 -0.00030 MgM1 0.00760 0.00660 0.01290 0.00000 0.00370 0.00000 FeM1 0.00760 0.00660 0.01290 0.00000 0.00370 0.00000 MgM2 0.00500 0.00730 0.01130 0.00000 0.00070 0.00000 FeM2 0.00500 0.00730 0.01130 0.00000 0.00070 0.00000 K 0.03410 0.03390 0.02890 0.00000 0.00490 0.00000 O1 0.01740 0.02470 0.01550 -0.00260 0.00430 -0.00670 O2 0.02700 0.01330 0.01730 0.00000 -0.00120 0.00000 O3 0.00830 0.00860 0.01010 -0.00020 0.00130 -0.00010 O4 0.00860 0.01040 0.01000 0.00000 0.00250 0.00000