data_global _chemical_name_mineral 'Phlogopite' loop_ _publ_author_name 'Ventruti G' 'Levy D' 'Pavese A' 'Scordari F' 'Suard E' _journal_name_full 'European Journal of Mineralogy' _journal_volume 21 _journal_year 2009 _journal_page_first 385 _journal_page_last 396 _publ_section_title ; High-temperature treatment, hydrogen behaviour and cation partitioning of a Fe-Ti bearing volcanic phlogopite by in situ neutron powder diffraction and FTIR spectroscopy Note: Phlogopite-1M Note: T = 298 K, neutron ; _database_code_amcsd 0007275 _chemical_compound_source 'Cava St.Antonio, Mt.Vulture, Italy' _chemical_formula_sum 'K.86 Na.08 Ba.04 Mg1.97 Fe.67 Al1.45 Mn.01 Ti.18 Si2.72 O11.88 F.12 H1.2' _cell_length_a 5.3291 _cell_length_b 9.2281 _cell_length_c 10.2279 _cell_angle_alpha 90 _cell_angle_beta 100.078 _cell_angle_gamma 90 _cell_volume 495.221 _exptl_crystal_density_diffrn 2.981 _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 0.50000 0.00000 0.86000 0.04200 Na 0.00000 0.50000 0.00000 0.08000 0.04200 Ba 0.00000 0.50000 0.00000 0.04000 0.04200 MgM1 0.00000 0.00000 0.50000 0.59000 0.01100 FeM1 0.00000 0.00000 0.50000 0.23000 0.01100 AlM1 0.00000 0.00000 0.50000 0.17000 0.01100 MnM1 0.00000 0.00000 0.50000 0.01000 0.01100 MgM2 0.00000 0.33310 0.50000 0.69000 0.01200 FeM2 0.00000 0.33310 0.50000 0.22000 0.01200 TiM2 0.00000 0.33310 0.50000 0.09000 0.01200 SiT 0.07200 0.16810 0.22470 0.68000 0.01430 AlT 0.07200 0.16810 0.22470 0.32000 0.01430 O1 0.32700 0.22530 0.16630 1.00000 0.02500 O2 0.00800 0.00000 0.17100 1.00000 0.02400 O3 0.13100 0.16640 0.39080 1.00000 0.01500 O4 0.12900 0.50000 0.39950 0.94000 0.01600 F4 0.12900 0.50000 0.39950 0.06000 0.01600 H 0.10000 0.52900 0.32000 0.30000 0.05000 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 H 0.03000 0.05000 0.05000 -0.01000 -0.02000 0.01000