data_global _chemical_name_mineral 'Phlogopite' loop_ _publ_author_name 'Nazzareni S' 'Comodi P' 'Bindi L' 'Safonov O G' 'Litvin Y A' 'Perchuk L L' _journal_name_full 'American Mineralogist' _journal_volume 93 _journal_year 2008 _journal_page_first 1429 _journal_page_last 1436 _publ_section_title ; Synthetic hypersilicic Cl-bearing mica in the phlogopite-celadonite join: a mulitmethodical characterization of the missing link between di- and tri- octahedral micas at high pressures ; _database_code_amcsd 0004636 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'K (Si3.5 Al.5) Mg2.722 O11.608 Cl.392' _cell_length_a 5.299 _cell_length_b 9.167 _cell_length_c 10.226 _cell_angle_alpha 90 _cell_angle_beta 100.06 _cell_angle_gamma 90 _cell_volume 489.100 _exptl_crystal_density_diffrn 2.829 _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 0.00000 0.00000 1.00000 0.04040 Si 0.57620 0.16700 0.22870 0.87500 0.01030 Al 0.57620 0.16700 0.22870 0.12500 0.01030 MgM1 0.00000 0.50000 0.50000 0.85200 0.00800 MgM2 0.00000 0.83200 0.50000 0.93500 0.01450 O1 0.81190 0.24350 0.16780 1.00000 0.01880 O2 0.54280 0.00000 0.16850 1.00000 0.01660 O3 0.63010 0.16740 0.38930 1.00000 0.01050 O4 0.13280 0.00000 0.40020 0.80400 0.01370 Cl 0.11800 0.00000 0.34960 0.19600 0.04800 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 0.03700 0.03630 0.04840 0.00000 0.00870 0.00000 Si 0.01020 0.00690 0.01380 -0.00010 0.00180 -0.00070 Al 0.01020 0.00690 0.01380 -0.00010 0.00180 -0.00070 MgM1 0.00800 0.00550 0.01030 0.00000 0.00190 0.00000 MgM2 0.01640 0.01020 0.01750 0.00000 0.00480 0.00000