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: Mga1.2#1 ; _database_code_amcsd 0002925 _chemical_formula_sum '(Al1.04 Si2.96) (Mg2.22 Fe.78) K O12 H2' _cell_length_a 5.3409 _cell_length_b 9.2536 _cell_length_c 10.3087 _cell_angle_alpha 90 _cell_angle_beta 99.962 _cell_angle_gamma 90 _cell_volume 501.801 _exptl_crystal_density_diffrn 2.924 _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 0.57634 0.16674 0.22776 0.26000 0.01659 SiT 0.57634 0.16674 0.22776 0.74000 0.01659 MgM1 0.00000 0.50000 0.50000 0.74000 0.01596 FeM1 0.00000 0.50000 0.50000 0.26000 0.01596 MgM2 0.00000 0.83387 0.50000 0.74000 0.01558 FeM2 0.00000 0.83387 0.50000 0.26000 0.01558 K 0.00000 0.00000 0.00000 1.00000 0.04648 O1 0.82827 0.22845 0.17024 1.00000 0.02888 O2 0.51402 0.00000 0.17123 1.00000 0.02989 O3 0.63027 0.16727 0.38943 1.00000 0.01697 O4 0.13309 0.00000 0.39728 1.00000 0.02077 H 0.12500 0.00000 0.30900 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 0.01360 0.01190 0.02550 0.00050 0.00650 0.00140 SiT 0.01360 0.01190 0.02550 0.00050 0.00650 0.00140 MgM1 0.01060 0.01120 0.02710 0.00000 0.00670 0.00000 FeM1 0.01060 0.01120 0.02710 0.00000 0.00670 0.00000 MgM2 0.01400 0.00990 0.02390 0.00000 0.00590 0.00000 FeM2 0.01400 0.00990 0.02390 0.00000 0.00590 0.00000 K 0.04900 0.04940 0.04100 0.00000 0.00770 0.00000 O1 0.03300 0.02890 0.02550 -0.00090 0.00750 -0.00560 O2 0.03460 0.01840 0.03520 0.00000 0.00190 0.00000 O3 0.01430 0.01360 0.02390 0.00130 0.00560 0.00350 O4 0.01270 0.01090 0.03970 0.00000 0.00780 0.00000