data_global _chemical_name_mineral 'Biotite' loop_ _publ_author_name 'Bigi S' 'Brigatti M F' _journal_name_full 'American Mineralogist' _journal_volume 79 _journal_year 1994 _journal_page_first 63 _journal_page_last 72 _publ_section_title ; Crystal chemistry and microstructures of plutonic biotite Sample 1M from Valle del Cervo syenitic complex ; _database_code_amcsd 0001633 _chemical_formula_sum 'Si2.808 Al1.207 Fe.4 Mg.512 Mn.007 Ti.067 Na.034 K1.906 O12' _cell_length_a 5.335 _cell_length_b 9.244 _cell_length_c 10.206 _cell_angle_alpha 90 _cell_angle_beta 100.08 _cell_angle_gamma 90 _cell_volume 495.558 _exptl_crystal_density_diffrn 2.795 _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 SiT 0.07520 0.16690 0.22580 0.70200 AlT 0.07520 0.16690 0.22580 0.29800 Al1 0.00000 0.00000 0.50000 0.01500 Fe1 0.00000 0.00000 0.50000 0.40000 Mg1 0.00000 0.00000 0.50000 0.51200 Mn1 0.00000 0.00000 0.50000 0.00700 Ti1 0.00000 0.00000 0.50000 0.06700 Na2 0.00000 0.33430 0.50000 0.01700 K2 0.00000 0.33430 0.50000 0.95300 O1 0.02470 0.00000 0.16880 1.00000 O2 0.32190 0.23360 0.16830 1.00000 O3 0.13340 0.16750 0.39050 1.00000 O4 0.13010 0.50000 0.39520 1.00000 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 SiT 0.02250 0.01645 0.02660 -0.00049 0.00562 0.00047 AlT 0.02250 0.01645 0.02660 -0.00049 0.00562 0.00047 Al1 0.02404 0.01645 0.03427 0.00000 0.00963 0.00000 Fe1 0.02404 0.01645 0.03427 0.00000 0.00963 0.00000 Mg1 0.02404 0.01645 0.03427 0.00000 0.00963 0.00000 Mn1 0.02404 0.01645 0.03427 0.00000 0.00963 0.00000 Ti1 0.02404 0.01645 0.03427 0.00000 0.00963 0.00000 Na2 0.02236 0.01905 0.03069 0.00000 0.00749 0.00000 K2 0.02236 0.01905 0.03069 0.00000 0.00749 0.00000 O1 0.04277 0.02035 0.03632 0.00000 0.00562 0.00000 O2 0.02963 0.03810 0.03376 -0.00541 0.00909 -0.00282 O3 0.02754 0.01905 0.03120 0.00000 0.00775 0.00188 O4 0.02768 0.02294 0.03274 0.00000 0.00722 0.00000