data_global _chemical_name_mineral 'Phlogopite' loop_ _publ_author_name 'Redhammer G J' 'Roth G' _journal_name_full 'American Mineralogist' _journal_volume 87 _journal_year 2002 _journal_page_first 1464 _journal_page_last 1476 _publ_section_title ; Single-crystal structure refinements and crystal chemistry of synthetic trioctahedral micas KM3(Al,Si)4O10(OH)2, where M = Ni, Mg, Co, Fe, Al Sample: A20#4 ; _database_code_amcsd 0002922 _chemical_formula_sum '(Al1.08 Si2.92) (Mg2.7 Fe.3) K O12 H2' _cell_length_a 5.3245 _cell_length_b 9.2245 _cell_length_c 10.3050 _cell_angle_alpha 90 _cell_angle_beta 99.927 _cell_angle_gamma 90 _cell_volume 498.561 _exptl_crystal_density_diffrn 2.842 _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 AlT 0.57621 0.16690 0.22879 0.27000 0.00823 SiT 0.57621 0.16690 0.22879 0.73000 0.00823 MgM1 0.00000 0.50000 0.50000 0.90000 0.00722 FeM1 0.00000 0.50000 0.50000 0.10000 0.00722 MgM2 0.00000 0.83248 0.50000 0.90000 0.00722 FeM2 0.00000 0.83248 0.50000 0.10000 0.00722 K 0.00000 0.00000 0.00000 1.00000 0.03318 O1 0.82982 0.22710 0.17142 1.00000 0.01786 O2 0.51106 0.00000 0.17167 1.00000 0.01849 O3 0.63084 0.16673 0.39157 1.00000 0.00937 O4 0.13284 0.00000 0.39918 1.00000 0.01229 H 0.09300 0.00000 0.32500 1.00000 0.02976 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 AlT 0.00560 0.00930 0.00990 -0.00010 0.00180 -0.00010 SiT 0.00560 0.00930 0.00990 -0.00010 0.00180 -0.00010 MgM1 0.00460 0.00750 0.01020 0.00000 0.00300 0.00000 FeM1 0.00460 0.00750 0.01020 0.00000 0.00300 0.00000 MgM2 0.00330 0.00890 0.00960 0.00000 0.00180 0.00000 FeM2 0.00330 0.00890 0.00960 0.00000 0.00180 0.00000 K 0.03500 0.03850 0.02600 0.00000 0.00480 0.00000 O1 0.01610 0.02510 0.01330 -0.00530 0.00450 -0.00250 O2 0.02190 0.01630 0.01660 0.00000 0.00150 0.00000 O3 0.00760 0.01190 0.00880 0.00010 0.00240 -0.00130 O4 0.01250 0.01520 0.00880 0.00000 0.00030 0.00000