data_global _chemical_name_mineral 'Phlogopite' loop_ _publ_author_name 'Scordari F' 'Ventruti G' 'Sabato A' 'Bellatreccia F' 'Della Ventura G' 'Pedrazzi G' _journal_name_full 'European Journal of Mineralogy' _journal_volume 18 _journal_year 2006 _journal_page_first 379 _journal_page_last 391 _publ_section_title ; Ti-rich phlogopite from Mt. Vulture (Potenza, Italy) investigated by a multianalytical, approach: substitutional mechanisms and orientation of the OH dipoles Sample: SA1-9 ; _database_code_amcsd 0007153 _chemical_compound_source 'Cava St. Antonio, Mt. Vulture, Potenza, Italy' _chemical_formula_sum 'K Mg2.191 Fe.807 Si4 O12 H1.361' _cell_length_a 5.337 _cell_length_b 9.238 _cell_length_c 10.228 _cell_angle_alpha 90 _cell_angle_beta 100.050 _cell_angle_gamma 90 _cell_volume 496.536 _exptl_crystal_density_diffrn 2.964 _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 1.01700 0.03090 Mg1 0.00000 0.00000 0.50000 0.74030 0.00950 Fe1 0.00000 0.00000 0.50000 0.25890 0.00950 Mg2 0.00000 0.33610 0.50000 0.72560 0.01070 Fe2 0.00000 0.33610 0.50000 0.27420 0.01070 Si 0.07503 0.16690 0.22570 1.00000 0.00910 O1 0.32990 0.22619 0.16852 1.00000 0.01840 O2 0.00870 0.00000 0.16952 1.00000 0.01850 O3 0.13035 0.16764 0.39156 1.00000 0.01100 O4 0.13240 0.50000 0.39905 1.00000 0.01190 H 0.11400 0.50000 0.31700 0.68060 0.01190 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 0.03200 0.03050 0.03020 0.00000 0.00540 0.00000 Mg1 0.00910 0.00690 0.01280 0.00000 0.00350 0.00000 Fe1 0.00910 0.00690 0.01280 0.00000 0.00350 0.00000 Mg2 0.00755 0.01274 0.01170 0.00000 0.00109 0.00000 Fe2 0.00755 0.01274 0.01170 0.00000 0.00109 0.00000 Si 0.00903 0.00808 0.01012 0.00009 0.00158 0.00019 O1 0.01780 0.02320 0.01500 -0.00630 0.00490 -0.00330 O2 0.02610 0.01330 0.01460 0.00000 -0.00040 0.00000 O3 0.01090 0.01090 0.01130 0.00040 0.00220 0.00030 O4 0.01220 0.01330 0.01000 0.00000 0.00120 0.00000 H 0.01220 0.01330 0.01000 0.00000 0.00120 0.00000