data_global _chemical_name_mineral 'Phlogopite' loop_ _publ_author_name 'Hawthorne F C' 'Teertstra D K' 'Cerny P' _journal_name_full 'American Mineralogist' _journal_volume 84 _journal_year 1999 _journal_page_first 778 _journal_page_last 781 _publ_section_title ; Crystal-structure refinement of a rubidian cesian phlogopite ; _database_code_amcsd 0002225 _chemical_formula_sum 'K.462 Rb.275 Cs.233 Mg1.24 Fe1.04 Li.3 Al1.46 Ti.04 Si2.92 H2 O12' _cell_length_a 5.343 _cell_length_b 9.247 _cell_length_c 10.397 _cell_angle_alpha 90 _cell_angle_beta 100.04 _cell_angle_gamma 90 _cell_volume 505.815 _exptl_crystal_density_diffrn 3.153 _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 K 0.00000 0.50000 0.00000 0.46200 ? Rb 0.00000 0.50000 0.00000 0.27500 ? Cs 0.00000 0.50000 0.00000 0.23300 ? Mg1 0.00000 0.00000 0.50000 0.48000 ? Fe1 0.00000 0.00000 0.50000 0.40000 ? Li1 0.00000 0.00000 0.50000 0.12000 ? Al2 0.00000 0.33310 0.50000 0.19000 ? Ti2 0.00000 0.33310 0.50000 0.02000 ? Mg2 0.00000 0.33310 0.50000 0.38000 ? Fe2 0.00000 0.33310 0.50000 0.32000 ? Li2 0.00000 0.33310 0.50000 0.09000 ? Si 0.07850 0.16680 0.23280 0.73000 ? Al 0.07850 0.16680 0.23280 0.27000 ? H 0.11700 0.50000 0.30600 1.00000 0.01000 O1 0.04190 0.00000 0.17650 1.00000 ? O2 0.31710 0.24110 0.17480 1.00000 ? O3 0.13350 0.16840 0.39390 1.00000 ? O4 0.12880 0.50000 0.40090 1.00000 ? 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 K 0.01850 0.02680 0.02970 0.00000 0.00560 0.00000 Rb 0.01850 0.02680 0.02970 0.00000 0.00560 0.00000 Cs 0.01850 0.02680 0.02970 0.00000 0.00560 0.00000 Mg1 0.00210 0.00740 0.01920 0.00000 0.00490 0.00000 Fe1 0.00210 0.00740 0.01920 0.00000 0.00490 0.00000 Li1 0.00210 0.00740 0.01920 0.00000 0.00490 0.00000 Al2 0.00230 0.01170 0.01920 0.00000 0.00350 0.00000 Ti2 0.00230 0.01170 0.01920 0.00000 0.00350 0.00000 Mg2 0.00230 0.01170 0.01920 0.00000 0.00350 0.00000 Fe2 0.00230 0.01170 0.01920 0.00000 0.00350 0.00000 Li2 0.00230 0.01170 0.01920 0.00000 0.00350 0.00000 Si 0.00370 0.01120 0.01880 0.00010 0.00230 0.00030 Al 0.00370 0.01120 0.01880 0.00010 0.00230 0.00030 O1 0.02040 0.01850 0.02670 0.00000 0.00310 0.00000 O2 0.01670 0.03240 0.02670 -0.00700 0.00650 0.00180 O3 0.01370 0.01920 0.02190 0.00050 0.00250 -0.00080 O4 0.00790 0.03080 0.02250 0.00000 0.00070 0.00000