data_global _chemical_name_mineral 'Annite' loop_ _publ_author_name 'Brigatti M F' 'Frigieri P' 'Ghezzo c' 'Poppi L' _journal_name_full 'American Mineralogist' _journal_volume 85 _journal_year 2000 _journal_page_first 436 _journal_page_last 448 _publ_section_title ; Crystal chemistry of Al-rich biotites coexisting with muscovites in peraluminous granites Sample: H87 ; _database_code_amcsd 0002387 _chemical_compound_source 'Riu Morunzu, Sardinia Island, Italy' _chemical_formula_sum '(K.98 Na.02) Fe1.48 Mg.7 Ti.16 Al1.78 Si2.72 O11.8 F.16 Cl.04 H1.56' _cell_length_a 5.344 _cell_length_b 9.256 _cell_length_c 10.237 _cell_angle_alpha 90 _cell_angle_beta 100.27 _cell_angle_gamma 90 _cell_volume 498.251 _exptl_crystal_density_diffrn 3.102 _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 KA 0.00000 0.50000 0.00000 0.98000 NaA 0.00000 0.50000 0.00000 0.02000 Fe2+1 0.00000 0.00000 0.50000 0.68000 Mg1 0.00000 0.00000 0.50000 0.16000 Fe2+2 0.00000 0.33309 0.50000 0.40000 Mg2 0.00000 0.33309 0.50000 0.27000 Ti2 0.00000 0.33309 0.50000 0.08000 Al2 0.00000 0.33309 0.50000 0.25000 SiT 0.07550 0.16709 0.22608 0.68000 AlT 0.07550 0.16709 0.22608 0.32000 O1 0.01600 0.00000 0.17050 1.00000 O2 0.32700 0.22960 0.16900 1.00000 O3 0.13300 0.16900 0.39230 1.00000 O-H4 0.12630 0.50000 0.39700 0.78000 O4 0.12630 0.50000 0.39700 0.12000 F4 0.12630 0.50000 0.39700 0.08000 Cl4 0.12630 0.50000 0.39700 0.02000 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 KA 0.02300 0.00690 0.00810 0.00000 0.00230 0.00000 NaA 0.02300 0.00690 0.00810 0.00000 0.00230 0.00000 Fe2+1 0.00670 0.00123 0.00431 0.00000 0.00200 0.00000 Mg1 0.00670 0.00123 0.00431 0.00000 0.00200 0.00000 Fe2+2 0.00630 0.00158 0.00405 0.00000 0.00124 0.00000 Mg2 0.00630 0.00158 0.00405 0.00000 0.00124 0.00000 Ti2 0.00630 0.00158 0.00405 0.00000 0.00124 0.00000 Al2 0.00630 0.00158 0.00405 0.00000 0.00124 0.00000 SiT 0.00660 0.00124 0.00378 0.00000 0.00152 -0.00001 AlT 0.00660 0.00124 0.00378 0.00000 0.00152 -0.00001 O1 0.01990 0.00330 0.00490 0.00000 0.00000 0.00000 O2 0.01570 0.00530 0.00520 -0.00300 0.00290 -0.00070 O3 0.01410 0.00300 0.00390 -0.00020 0.00120 0.00000 O-H4 0.01260 0.00480 0.00370 0.00000 0.00100 0.00000 O4 0.01260 0.00480 0.00370 0.00000 0.00100 0.00000 F4 0.01260 0.00480 0.00370 0.00000 0.00100 0.00000 Cl4 0.01260 0.00480 0.00370 0.00000 0.00100 0.00000