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 = 873 K, neutron ; _database_code_amcsd 0007277 _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 5.3729 _cell_length_b 9.3057 _cell_length_c 10.3469 _cell_angle_alpha 90 _cell_angle_beta 100.148 _cell_angle_gamma 90 _cell_volume 509.237 _exptl_crystal_density_diffrn 2.899 _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 0.09000 Na 0.00000 0.50000 0.00000 0.08000 0.09000 Ba 0.00000 0.50000 0.00000 0.04000 0.09000 MgM1 0.00000 0.00000 0.50000 0.59000 0.02200 FeM1 0.00000 0.00000 0.50000 0.23000 0.02200 AlM1 0.00000 0.00000 0.50000 0.17000 0.02200 MnM1 0.00000 0.00000 0.50000 0.01000 0.02200 MgM2 0.00000 0.33370 0.50000 0.69000 0.02300 FeM2 0.00000 0.33370 0.50000 0.22000 0.02300 TiM2 0.00000 0.33370 0.50000 0.09000 0.02300 SiT 0.06900 0.16600 0.22720 0.68000 0.02300 AlT 0.06900 0.16600 0.22720 0.32000 0.02300 O1 0.31400 0.23650 0.17150 1.00000 0.04100 O2 0.04100 0.00000 0.16800 1.00000 0.06500 O3 0.13100 0.16670 0.39180 1.00000 0.03000 O4 0.12800 0.50000 0.40030 0.94000 0.03900 F4 0.12800 0.50000 0.40030 0.06000 0.03900 H 0.08600 0.54200 0.32400 0.30000 0.16000