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: NiPhl#6 - Ni ; _database_code_amcsd 0002917 _chemical_formula_sum '(Al1.08 Si2.92) Ni3 K O12 H2' _cell_length_a 5.3023 _cell_length_b 9.1804 _cell_length_c 10.2911 _cell_angle_alpha 90 _cell_angle_beta 99.921 _cell_angle_gamma 90 _cell_volume 493.451 _exptl_crystal_density_diffrn 3.502 _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 0.57689 0.16663 0.23009 0.27000 0.00697 SiT 0.57689 0.16663 0.23009 0.73000 0.00697 NiM1 0.00000 0.50000 0.50000 1.00000 0.00836 NiM2 0.00000 0.83198 0.50000 1.00000 0.00836 K 0.00000 0.00000 0.00000 1.00000 0.03508 O1 0.83411 0.22589 0.17263 1.00000 0.01811 O2 0.50706 0.00000 0.17330 1.00000 0.01874 O3 0.63163 0.16634 0.39342 1.00000 0.00899 O4 0.13367 0.00000 0.39940 1.00000 0.00963 H 0.10300 0.00000 0.30900 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 0.00450 0.00680 0.00950 0.00010 0.00120 0.00020 SiT 0.00450 0.00680 0.00950 0.00010 0.00120 0.00020 NiM1 0.00610 0.00640 0.01300 0.00000 0.00320 0.00000 NiM2 0.00570 0.00690 0.01230 0.00000 0.00150 0.00000 K 0.03910 0.03750 0.02790 0.00000 0.00400 0.00000 O1 0.01360 0.02350 0.01820 -0.00670 0.00510 -0.00350 O2 0.02450 0.01460 0.01600 0.00000 0.00110 0.00000 O3 0.00800 0.00970 0.00920 -0.00110 0.00110 0.00050 O4 0.00640 0.01290 0.00940 0.00000 0.00100 0.00000