data_global _chemical_name_mineral 'Polylithionite' loop_ _publ_author_name 'Brigatti M F' 'Caprilli E' 'Malferrari D' 'Medici L' 'Poppi L' _journal_name_full 'European Journal of Mineralogy' _journal_volume 17 _journal_year 2005 _journal_page_first 475 _journal_page_last 481 _publ_section_title ; Crystal structure and chemistry of trilithionite-2M2 and polylithionite-2M2 Note: sample SBT ; _database_code_amcsd 0007102 _chemical_compound_source 'Varutrask, Vasterbotten, Sweden' _chemical_formula_sum 'K.874 Rb.073 Na.029 Cs.02 Ca.002 Li1.758 Al1.656 Fe.018 Mn.014 Mg.006 Ti.002 Si3.54 O10.278 (F1.722 H.278)' _cell_length_a 9.029 _cell_length_b 5.203 _cell_length_c 20.201 _cell_angle_alpha 90 _cell_angle_beta 99.35 _cell_angle_gamma 90 _cell_volume 936.392 _exptl_crystal_density_diffrn 2.834 _symmetry_space_group_name_H-M 'C 1 2/c 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,z' 'x,-y,1/2+z' '1/2+x,1/2-y,1/2+z' '-x,y,1/2-z' '1/2-x,1/2+y,1/2-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 KA 0.00000 0.09000 0.25000 0.87400 0.02420 RbA 0.00000 0.09000 0.25000 0.07300 0.02420 NaA 0.00000 0.09000 0.25000 0.02900 0.02420 CsA 0.00000 0.09000 0.25000 0.02000 0.02420 CaA 0.00000 0.09000 0.25000 0.00200 0.02420 LiM1 0.25000 0.75000 0.00000 1.00000 0.02300 AlM2 0.08564 0.25800 0.00013 0.59800 0.01210 LiM2 0.08564 0.25800 0.00013 0.37900 0.01210 Fe2+M2 0.08564 0.25800 0.00013 0.00900 0.01210 MnM2 0.08564 0.25800 0.00013 0.00700 0.01210 MgM2 0.08564 0.25800 0.00013 0.00300 0.01210 TiM2 0.08564 0.25800 0.00013 0.00100 0.01210 SiT1 0.12540 0.58624 0.13373 0.88500 0.01000 AlT1 0.12540 0.58624 0.13373 0.11500 0.01000 SiT2 0.29388 0.09160 0.13370 0.88500 0.01050 AlT2 0.29388 0.09160 0.13370 0.11500 0.01050 O1 0.09170 0.57400 0.05306 1.00000 0.01880 O2 0.26820 0.10560 0.05302 1.00000 0.01900 O3 0.20890 0.32540 0.16633 1.00000 0.02130 O4 0.47210 0.11510 0.16605 1.00000 0.02170 O5 0.23430 0.82390 0.16250 1.00000 0.02180 F 0.94660 0.07180 0.04958 0.86100 0.04130 O-H 0.94660 0.07180 0.04958 0.13900 0.04130 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 0.02340 0.02420 0.02470 0.00000 0.00260 0.00000 RbA 0.02340 0.02420 0.02470 0.00000 0.00260 0.00000 NaA 0.02340 0.02420 0.02470 0.00000 0.00260 0.00000 CsA 0.02340 0.02420 0.02470 0.00000 0.00260 0.00000 CaA 0.02340 0.02420 0.02470 0.00000 0.00260 0.00000 LiM1 0.02300 0.02300 0.02200 0.00600 0.00100 -0.00400 AlM2 0.01210 0.01300 0.01130 0.00120 0.00170 0.00050 LiM2 0.01210 0.01300 0.01130 0.00120 0.00170 0.00050 Fe2+M2 0.01210 0.01300 0.01130 0.00120 0.00170 0.00050 MnM2 0.01210 0.01300 0.01130 0.00120 0.00170 0.00050 MgM2 0.01210 0.01300 0.01130 0.00120 0.00170 0.00050 TiM2 0.01210 0.01300 0.01130 0.00120 0.00170 0.00050 SiT1 0.00920 0.00900 0.01190 -0.00050 0.00190 0.00010 AlT1 0.00920 0.00900 0.01190 -0.00050 0.00190 0.00010 SiT2 0.01010 0.01030 0.01130 0.00000 0.00200 -0.00040 AlT2 0.01010 0.01030 0.01130 0.00000 0.00200 -0.00040 O1 0.02400 0.01980 0.01220 -0.00550 0.00190 -0.00040 O2 0.02560 0.01860 0.01200 -0.00430 0.00110 0.00110 O3 0.02570 0.01790 0.02010 0.00700 0.00290 0.00110 O4 0.01440 0.03170 0.01900 0.00030 0.00210 -0.00290 O5 0.02490 0.01970 0.01940 -0.00670 -0.00020 0.00160 F 0.03260 0.07300 0.01910 0.02820 0.00510 0.00110 O-H 0.03260 0.07300 0.01910 0.02820 0.00510 0.00110