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 = 600 C ; _database_code_amcsd 0009038 _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 5.3468 _cell_length_b 9.2616 _cell_length_c 10.3101 _cell_angle_alpha 90 _cell_angle_beta 100.078 _cell_angle_gamma 90 _cell_volume 502.678 _exptl_crystal_density_diffrn 2.867 _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 0.07852 MgM1 0.00000 0.00000 0.50000 0.76000 0.01520 FeM1 0.00000 0.00000 0.50000 0.14000 0.01520 AlM1 0.00000 0.00000 0.50000 0.06000 0.01520 TiM1 0.00000 0.00000 0.50000 0.04000 0.01520 MgM2 0.00000 0.33300 0.50000 0.76000 0.01773 FeM2 0.00000 0.33300 0.50000 0.14000 0.01773 AlM2 0.00000 0.33300 0.50000 0.06000 0.01773 TiM2 0.00000 0.33300 0.50000 0.04000 0.01773 SiT 0.08000 0.16500 0.22490 0.69000 0.01646 AlT 0.08000 0.16500 0.22490 0.31000 0.01646 O1 0.03600 0.00000 0.16200 1.00000 0.03926 O2 0.31400 0.24210 0.17460 1.00000 0.03546 O3 0.12500 0.16770 0.39100 1.00000 0.01773 O4 0.13300 0.50000 0.40270 0.90000 0.03546 H 0.06800 0.50000 0.30700 0.90000 0.39769 F 0.13300 0.50000 0.40270 0.10000 0.03546