data_global _chemical_name_mineral 'Trilithionite' 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 Lch 59a ; _database_code_amcsd 0007103 _chemical_compound_source 'Chedeville, France' _chemical_formula_sum 'K.872 Na.073 Ba.002 Li1.522 Al2.202 Mn.48 Fe.026 Ti.006 Cr.002 Si3.188 O10.46 (F1.54 H.46)' _cell_length_a 9.056 _cell_length_b 5.216 _cell_length_c 20.282 _cell_angle_alpha 90 _cell_angle_beta 99.64 _cell_angle_gamma 90 _cell_volume 944.514 _exptl_crystal_density_diffrn 2.960 _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 0.09290 0.25000 0.87200 0.02890 NaA 0.00000 0.09290 0.25000 0.07300 0.02890 BaA 0.00000 0.09290 0.25000 0.00200 0.02890 LiM1 0.25000 0.75000 0.00000 1.00000 0.02700 AlM2 0.08478 0.25480 0.00005 0.69500 0.01350 LiM2 0.08478 0.25480 0.00005 0.26100 0.01350 MnM2 0.08478 0.25480 0.00005 0.24000 0.01350 Fe2+M2 0.08478 0.25480 0.00005 0.01300 0.01350 TiM2 0.08478 0.25480 0.00005 0.00300 0.01350 Cr3+M2 0.08478 0.25480 0.00005 0.00100 0.01350 SiT1 0.12577 0.58610 0.13434 0.79700 0.01340 AlT1 0.12577 0.58610 0.13434 0.20300 0.01340 SiT2 0.29499 0.09330 0.13432 0.79700 0.01250 AlT2 0.29499 0.09330 0.13432 0.20300 0.01250 O1 0.08850 0.57080 0.05271 1.00000 0.01860 O2 0.26840 0.11150 0.05309 1.00000 0.02020 O3 0.20330 0.31920 0.16694 1.00000 0.02270 O4 0.47330 0.13020 0.16629 1.00000 0.02760 O5 0.24340 0.81990 0.16143 1.00000 0.02350 F 0.94910 0.06990 0.04940 0.77000 0.03130 O-H 0.94910 0.06990 0.04940 0.23000 0.03130 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 0.02870 0.02890 0.02900 0.00000 0.00410 0.00000 NaA 0.02870 0.02890 0.02900 0.00000 0.00410 0.00000 BaA 0.02870 0.02890 0.02900 0.00000 0.00410 0.00000 LiM1 0.02000 0.03400 0.02800 0.01100 0.00600 -0.00600 AlM2 0.01380 0.01220 0.01500 0.00000 0.00380 -0.00100 LiM2 0.01380 0.01220 0.01500 0.00000 0.00380 -0.00100 MnM2 0.01380 0.01220 0.01500 0.00000 0.00380 -0.00100 Fe2+M2 0.01380 0.01220 0.01500 0.00000 0.00380 -0.00100 TiM2 0.01380 0.01220 0.01500 0.00000 0.00380 -0.00100 Cr3+M2 0.01380 0.01220 0.01500 0.00000 0.00380 -0.00100 SiT1 0.01390 0.01230 0.01400 0.00180 0.00210 0.00010 AlT1 0.01390 0.01230 0.01400 0.00180 0.00210 0.00010 SiT2 0.01150 0.01330 0.01330 0.00130 0.00360 0.00000 AlT2 0.01150 0.01330 0.01330 0.00130 0.00360 0.00000 O1 0.01920 0.02130 0.01500 0.00240 0.00160 0.00070 O2 0.02230 0.02240 0.01510 -0.00140 0.00110 0.00010 O3 0.02840 0.01950 0.02130 0.00680 0.00770 0.00050 O4 0.01890 0.03780 0.02570 -0.00080 0.00250 -0.00340 O5 0.02440 0.01960 0.02490 -0.00470 -0.00080 0.00350 F 0.02960 0.04380 0.02120 0.01370 0.00620 -0.00040 O-H 0.02960 0.04380 0.02120 0.01370 0.00620 -0.00040