data_global _chemical_name_mineral 'Phlogopite-1M' loop_ _publ_author_name 'Schingaro E' 'Scordari F' 'Ventruti G' _journal_name_full 'European Journal of Mineralogy' _journal_volume 13 _journal_year 2001 _journal_page_first 1057 _journal_page_last 1069 _publ_section_title ; Trioctahedral micas-1M from Mt. Vulture (Italy): Structural disorder and crystal chemistry Sample: LC2G ; _database_code_amcsd 0006916 _chemical_compound_source 'Mt. Vulture, Italy' _chemical_formula_sum 'K.83 Na.05 Ba.02 O11.72 H1.86 Al1.4 Mg1.84 Fe.69 Mn.01 Ti.13 Si2.8 F.35' _cell_length_a 5.332 _cell_length_b 9.235 _cell_length_c 10.220 _cell_angle_alpha 90 _cell_angle_beta 100.06 _cell_angle_gamma 90 _cell_volume 495.506 _exptl_crystal_density_diffrn 2.941 _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 0.83000 0.03540 Na 0.00000 0.00000 0.00000 0.05000 0.03540 Ba 0.00000 0.00000 0.00000 0.02000 0.03540 O 0.00000 0.00000 0.00000 0.07000 0.03540 H 0.00000 0.00000 0.00000 0.21000 0.03540 AlM1 0.00000 0.50000 0.50000 0.17000 0.01100 MgM1 0.00000 0.50000 0.50000 0.35000 0.01100 FeM1 0.00000 0.50000 0.50000 0.34000 0.01100 MnM1 0.00000 0.50000 0.50000 0.01000 0.01100 AlM2 0.00000 0.83410 0.50000 0.01500 0.01200 TiM2 0.00000 0.83410 0.50000 0.06500 0.01200 MgM2 0.00000 0.83410 0.50000 0.74500 0.01200 FeM2 0.00000 0.83410 0.50000 0.17500 0.01200 SiT 0.57530 0.16680 0.22600 0.70000 0.01240 AlT 0.57530 0.16680 0.22600 0.30000 0.01240 O1 0.82730 0.22840 0.16860 1.00000 0.02130 O2 0.51300 0.00000 0.16940 1.00000 0.02210 O3 0.63060 0.16740 0.39140 1.00000 0.01240 O-H 0.13150 0.00000 0.39940 0.82500 0.01230 F 0.13150 0.00000 0.39940 0.17500 0.01230 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 0.03500 0.03500 0.03600 0.00000 0.00570 0.00000 Na 0.03500 0.03500 0.03600 0.00000 0.00570 0.00000 Ba 0.03500 0.03500 0.03600 0.00000 0.00570 0.00000 O 0.03500 0.03500 0.03600 0.00000 0.00570 0.00000 H 0.03500 0.03500 0.03600 0.00000 0.00570 0.00000 AlM1 0.00940 0.00870 0.01800 0.00000 0.00450 0.00000 MgM1 0.00940 0.00870 0.01800 0.00000 0.00450 0.00000 FeM1 0.00940 0.00870 0.01800 0.00000 0.00450 0.00000 MnM1 0.00940 0.00870 0.01800 0.00000 0.00450 0.00000 AlM2 0.00850 0.01250 0.01590 0.00000 0.00170 0.00000 TiM2 0.00850 0.01250 0.01590 0.00000 0.00170 0.00000 MgM2 0.00850 0.01250 0.01590 0.00000 0.00170 0.00000 FeM2 0.00850 0.01250 0.01590 0.00000 0.00170 0.00000 SiT 0.01070 0.01140 0.01600 -0.00010 0.00300 0.00010 AlT 0.01070 0.01140 0.01600 -0.00010 0.00300 0.00010 O1 0.01800 0.02700 0.02100 -0.00500 0.00500 -0.00200 O2 0.02800 0.01900 0.02000 0.00000 0.00000 0.00000 O3 0.01100 0.01100 0.01500 -0.00020 0.00220 0.00000 O-H 0.01100 0.01500 0.01100 0.00000 0.00100 0.00000 F 0.01100 0.01500 0.01100 0.00000 0.00100 0.00000