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: Coni1.8#2 - Co ; _database_code_amcsd 0002919 _chemical_formula_sum '(Al1.08 Si2.92) (Co1.68 Ni1.32) K O12 H2' _cell_length_a 5.3225 _cell_length_b 9.2195 _cell_length_c 10.3125 _cell_angle_alpha 90 _cell_angle_beta 99.949 _cell_angle_gamma 90 _cell_volume 498.433 _exptl_crystal_density_diffrn 3.470 _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 0.57637 0.16674 0.22848 0.27000 0.00811 SiT 0.57637 0.16674 0.22848 0.73000 0.00811 CoM1 0.00000 0.50000 0.50000 0.56000 0.00874 NiM1 0.00000 0.50000 0.50000 0.44000 0.00874 CoM2 0.00000 0.83190 0.50000 0.56000 0.00887 NiM2 0.00000 0.83190 0.50000 0.44000 0.00887 K 0.00000 0.00000 0.00000 1.00000 0.03318 O1 0.82794 0.22891 0.17079 1.00000 0.02128 O2 0.51410 0.00000 0.17080 1.00000 0.02140 O3 0.63136 0.16663 0.39129 1.00000 0.01039 O4 0.13362 0.00000 0.39809 1.00000 0.01102 H 0.11100 0.00000 0.28800 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 0.00730 0.00760 0.00940 -0.00010 0.00110 0.00010 SiT 0.00730 0.00760 0.00940 -0.00010 0.00110 0.00010 CoM1 0.00670 0.00600 0.01330 0.00000 0.00210 0.00000 NiM1 0.00670 0.00600 0.01330 0.00000 0.00210 0.00000 CoM2 0.00690 0.00630 0.01320 0.00000 0.00170 0.00000 NiM2 0.00690 0.00630 0.01320 0.00000 0.00170 0.00000 K 0.03590 0.03540 0.02800 0.00000 0.00450 0.00000 O1 0.01810 0.02790 0.01870 -0.00920 0.00530 -0.00410 O2 0.02820 0.01360 0.02060 0.00000 -0.00090 0.00000 O3 0.01340 0.01050 0.00740 -0.00040 0.00280 0.00010 O4 0.01260 0.01310 0.00770 0.00000 0.00220 0.00000