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 = 25 C ; _database_code_amcsd 0009032 _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 5.3134 _cell_length_b 9.2042 _cell_length_c 10.2093 _cell_angle_alpha 90 _cell_angle_beta 100.067 _cell_angle_gamma 90 _cell_volume 491.605 _exptl_crystal_density_diffrn 2.932 _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 0.02533 MgM1 0.00000 0.00000 0.50000 0.76000 0.01140 FeM1 0.00000 0.00000 0.50000 0.14000 0.01140 AlM1 0.00000 0.00000 0.50000 0.06000 0.01140 TiM1 0.00000 0.00000 0.50000 0.04000 0.01140 MgM2 0.00000 0.33220 0.50000 0.76000 0.00557 FeM2 0.00000 0.33220 0.50000 0.14000 0.00557 AlM2 0.00000 0.33220 0.50000 0.06000 0.00557 TiM2 0.00000 0.33220 0.50000 0.04000 0.00557 SiT 0.07500 0.16650 0.22460 0.69000 0.01115 AlT 0.07500 0.16650 0.22460 0.31000 0.01115 O1 0.00400 0.00000 0.16300 1.00000 0.02660 O2 0.32200 0.22940 0.17060 1.00000 0.01672 O3 0.12400 0.16720 0.39070 1.00000 0.00595 O4 0.13100 0.50000 0.40000 0.90000 0.01773 H 0.09300 0.50000 0.30500 0.90000 0.05319 F 0.13100 0.50000 0.40000 0.10000 0.01773