data_global _chemical_name_mineral 'Polylithionite' loop_ _publ_author_name 'Brigatti M F' 'Lugli C' 'Poppi L' 'Foord E E' 'Kile D E' _journal_name_full 'American Mineralogist' _journal_volume 85 _journal_year 2000 _journal_page_first 1275 _journal_page_last 1286 _publ_section_title ; Crystal chemical variations in Li- and Fe-rich micas from Pikes Peak batholith (central Colorado) Sample: 55b ; _database_code_amcsd 0002498 _chemical_formula_sum 'Si3.412 Al1.649 Li1.222 Fe.608 Mg.005 Mn.045 Na.011 Rb.023 K.956 O10.466 F1.534 H.24' _cell_length_a 5.263 _cell_length_b 9.085 _cell_length_c 10.078 _cell_angle_alpha 90 _cell_angle_beta 100.75 _cell_angle_gamma 90 _cell_volume 473.416 _exptl_crystal_density_diffrn 2.959 _symmetry_space_group_name_H-M 'C 1 2 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' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy SiT1 0.07580 0.16780 0.22923 0.85300 AlT1 0.07580 0.16780 0.22923 0.14700 SiT11 0.58590 0.33110 0.22905 0.85300 AlT11 0.58590 0.33110 0.22905 0.14700 LiM1 0.00000 0.99260 0.50000 0.53100 AlM1 0.00000 0.99260 0.50000 0.06300 FeM1 0.00000 0.99260 0.50000 0.34800 LiM2 0.00000 0.32175 0.50000 0.00100 AlM2 0.00000 0.32175 0.50000 0.99800 LiM3 0.50000 0.16120 0.50000 0.69000 MgM3 0.50000 0.16120 0.50000 0.00500 FeM3 0.50000 0.16120 0.50000 0.26000 MnM3 0.50000 0.16120 0.50000 0.04500 NaA 0.00000 0.50170 0.00000 0.01100 RbA 0.00000 0.50170 0.00000 0.02300 KA 0.00000 0.50170 0.00000 0.95600 O1 0.03960 0.99900 0.17120 1.00000 O2 0.32040 0.23850 0.17240 1.00000 O22 0.81450 0.25720 0.15880 1.00000 O3 0.11500 0.17310 0.39270 1.00000 O33 0.66370 0.32530 0.39220 1.00000 F4 0.10860 0.47040 0.39810 0.76700 O4 0.10860 0.47040 0.39810 0.11300 O-H4 0.10860 0.47040 0.39810 0.12000 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 SiT1 0.00798 0.00684 0.00747 0.00012 0.00140 -0.00050 AlT1 0.00798 0.00684 0.00747 0.00012 0.00140 -0.00050 SiT11 0.00722 0.00557 0.00684 -0.00026 0.00039 0.00000 AlT11 0.00722 0.00557 0.00684 -0.00026 0.00039 0.00000 LiM1 0.00937 0.00507 0.01038 0.00000 0.00254 0.00000 AlM1 0.00937 0.00507 0.01038 0.00000 0.00254 0.00000 FeM1 0.00937 0.00507 0.01038 0.00000 0.00254 0.00000 LiM2 0.00849 0.00722 0.00595 0.00000 0.00062 0.00000 AlM2 0.00849 0.00722 0.00595 0.00000 0.00062 0.00000 LiM3 0.00722 0.00544 0.01026 0.00000 0.00075 0.00000 MgM3 0.00722 0.00544 0.01026 0.00000 0.00075 0.00000 FeM3 0.00722 0.00544 0.01026 0.00000 0.00075 0.00000 MnM3 0.00722 0.00544 0.01026 0.00000 0.00075 0.00000 NaA 0.02533 0.02255 0.02153 0.00000 0.00342 0.00000 RbA 0.02533 0.02255 0.02153 0.00000 0.00342 0.00000 KA 0.02533 0.02255 0.02153 0.00000 0.00342 0.00000 O1 0.02786 0.01114 0.01381 0.00126 0.00153 -0.00128 O2 0.01646 0.02660 0.01013 -0.00633 0.00189 -0.00100 O22 0.01773 0.02026 0.01520 0.00507 0.00176 -0.00100 O3 0.01013 0.00886 0.00747 0.00140 0.00189 -0.00064 O33 0.00697 0.00874 0.00621 -0.00064 -0.00026 -0.00027 F4 0.00925 0.00722 0.00709 -0.00064 0.00176 0.00150 O4 0.00925 0.00722 0.00709 -0.00064 0.00176 0.00150 O-H4 0.00925 0.00722 0.00709 -0.00064 0.00176 0.00150