data_global _chemical_name_mineral 'Phlogopite' loop_ _publ_author_name 'Chon C-M' 'Lee C-K' 'Song Y' 'Kim S A' _journal_name_full 'Physics and Chemistry of Minerals' _journal_volume 33 _journal_year 2006 _journal_page_first 289 _journal_page_last 299 _publ_section_title ; Structural changes and oxidation of ferroan phlogopite with increasing temperature: in situ neutron powder diffraction and Fourier transform infrared spectroscopy Sample: T = 300 C ; _database_code_amcsd 0009035 _chemical_compound_source 'Quebec, Canada' _chemical_formula_sum 'K Mg2.28 Fe.42 Al1.42 Ti.12 Si2.76 O11.8 H1.8 F.2' _cell_length_a 5.3312 _cell_length_b 9.2359 _cell_length_c 10.2541 _cell_angle_alpha 90 _cell_angle_beta 100.084 _cell_angle_gamma 90 _cell_volume 497.096 _exptl_crystal_density_diffrn 2.899 _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 1.00000 0.05066 MgM1 0.00000 0.00000 0.50000 0.76000 0.01267 FeM1 0.00000 0.00000 0.50000 0.14000 0.01267 AlM1 0.00000 0.00000 0.50000 0.06000 0.01267 TiM1 0.00000 0.00000 0.50000 0.04000 0.01267 MgM2 0.00000 0.33300 0.50000 0.76000 0.00887 FeM2 0.00000 0.33300 0.50000 0.14000 0.00887 AlM2 0.00000 0.33300 0.50000 0.06000 0.00887 TiM2 0.00000 0.33300 0.50000 0.04000 0.00887 SiT 0.07500 0.16530 0.22560 0.69000 0.01355 AlT 0.07500 0.16530 0.22560 0.31000 0.01355 O1 0.02200 0.00000 0.16400 1.00000 0.03546 O2 0.31700 0.23570 0.17250 1.00000 0.02280 O3 0.12300 0.16650 0.39040 1.00000 0.01115 O4 0.13000 0.50000 0.39950 0.90000 0.02026 H 0.09200 0.50000 0.31100 0.90000 0.11145 F 0.13000 0.50000 0.39950 0.10000 0.02026