data_global _chemical_name_mineral 'Phlogopite' loop_ _publ_author_name 'Russell R L' 'Guggenheim S' _journal_name_full 'The Canadian Mineralogist' _journal_volume 37 _journal_year 1999 _journal_page_first 711 _journal_page_last 720 _publ_section_title ; The crystal structures of near-end-member phlogopite at high temperatures and heat-treated Fe-rich phlogopite: The influence of the O, OH, F site Sample: T = 300 deg C ; _database_code_amcsd 0005600 _chemical_compound_source 'White Well, Australia' _chemical_formula_sum 'K.82 Na.115 Mg2.28 Al1.711 Fe.12 Si2.784 O11.932 (F.068 H1.932)' _cell_length_a 5.3193 _cell_length_b 9.207 _cell_length_c 10.286 _cell_angle_alpha 90 _cell_angle_beta 100.042 _cell_angle_gamma 90 _cell_volume 496.037 _exptl_crystal_density_diffrn 2.781 _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 K 0.00000 0.50000 0.00000 0.82000 Na 0.00000 0.50000 0.00000 0.11500 Mg1 0.00000 0.00000 0.50000 0.76000 Al1 0.00000 0.00000 0.50000 0.16500 Fe1 0.00000 0.00000 0.50000 0.04000 Mg2 0.00000 0.33190 0.50000 0.76000 Al2 0.00000 0.33190 0.50000 0.16500 Fe2 0.00000 0.33190 0.50000 0.04000 Si 0.07690 0.16690 0.22900 0.69600 Al 0.07690 0.16690 0.22900 0.30400 O1 0.00960 0.00000 0.17960 1.00000 O2 0.33180 0.22510 0.17300 1.00000 O3 0.13140 0.16750 0.39340 1.00000 O-H4 0.13110 0.50000 0.39770 0.96600 F4 0.13110 0.50000 0.39770 0.03400 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 0.07050 0.07920 0.05350 0.00000 0.00670 0.00000 Na 0.07050 0.07920 0.05350 0.00000 0.00670 0.00000 Mg1 0.01540 0.02960 0.02080 0.00000 0.00210 0.00000 Al1 0.01540 0.02960 0.02080 0.00000 0.00210 0.00000 Fe1 0.01540 0.02960 0.02080 0.00000 0.00210 0.00000 Mg2 0.01510 0.03060 0.01960 0.00000 0.00080 0.00000 Al2 0.01510 0.03060 0.01960 0.00000 0.00080 0.00000 Fe2 0.01510 0.03060 0.01960 0.00000 0.00080 0.00000 Si 0.02000 0.03160 0.01960 0.00030 0.00140 -0.00040 Al 0.02000 0.03160 0.01960 0.00030 0.00140 -0.00040 O1 0.03910 0.03040 0.03240 0.00000 0.00410 0.00000 O2 0.03110 0.04130 0.03320 0.00000 0.00710 -0.00900 O3 0.02200 0.03320 0.02130 0.00320 0.00140 0.00000 O-H4 0.03310 0.04510 0.03750 0.00000 0.00160 0.00000 F4 0.03310 0.04510 0.03750 0.00000 0.00160 0.00000