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 132 ; _database_code_amcsd 0007104 _chemical_compound_source 'Chedeville, France' _chemical_formula_sum 'K.903 Na.045 Ca.002 Li1.572 Al2.066 Mn.044 Fe.008 Ti.004 Si3.292 O10.412 (F1.588 H.412)' _cell_length_a 9.033 _cell_length_b 5.210 _cell_length_c 20.271 _cell_angle_alpha 90 _cell_angle_beta 99.71 _cell_angle_gamma 90 _cell_volume 940.326 _exptl_crystal_density_diffrn 2.796 _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 0.09300 0.25000 0.90300 0.02890 NaA 0.00000 0.09300 0.25000 0.04500 0.02890 CaA 0.00000 0.09300 0.25000 0.00200 0.02890 LiM1 0.25000 0.75000 0.00000 1.00000 0.02800 AlM2 0.08495 0.25500 0.00002 0.67900 0.01110 LiM2 0.08495 0.25500 0.00002 0.28600 0.01110 MnM2 0.08495 0.25500 0.00002 0.02200 0.01110 Fe2+M2 0.08495 0.25500 0.00002 0.00400 0.01110 TiM2 0.08495 0.25500 0.00002 0.00200 0.01110 SiT1 0.12582 0.58690 0.13437 0.82300 0.01050 AlT1 0.12582 0.58690 0.13437 0.17700 0.01050 SiT2 0.29486 0.09500 0.13441 0.82300 0.01070 AlT2 0.29486 0.09500 0.13441 0.17700 0.01070 O1 0.08720 0.56980 0.05290 1.00000 0.01880 O2 0.26810 0.11520 0.05297 1.00000 0.01890 O3 0.20340 0.31990 0.16710 1.00000 0.02260 O4 0.47300 0.13010 0.16689 1.00000 0.02170 O5 0.24320 0.81630 0.16081 1.00000 0.02390 F 0.95020 0.06750 0.04946 0.79400 0.02930 O-H 0.95020 0.06750 0.04946 0.20600 0.02930 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 0.02430 0.02550 0.02700 0.00000 0.00190 0.00000 NaA 0.02430 0.02550 0.02700 0.00000 0.00190 0.00000 CaA 0.02430 0.02550 0.02700 0.00000 0.00190 0.00000 LiM1 0.02400 0.03300 0.02900 0.00000 0.00500 -0.01100 AlM2 0.00950 0.01140 0.01210 0.00180 0.00100 0.00000 LiM2 0.00950 0.01140 0.01210 0.00180 0.00100 0.00000 MnM2 0.00950 0.01140 0.01210 0.00180 0.00100 0.00000 Fe2+M2 0.00950 0.01140 0.01210 0.00180 0.00100 0.00000 TiM2 0.00950 0.01140 0.01210 0.00180 0.00100 0.00000 SiT1 0.00860 0.00950 0.01310 0.00060 0.00090 -0.00030 AlT1 0.00860 0.00950 0.01310 0.00060 0.00090 -0.00030 SiT2 0.00910 0.00970 0.01320 0.00060 0.00150 0.00030 AlT2 0.00910 0.00970 0.01320 0.00060 0.00150 0.00030 O1 0.02290 0.01880 0.01400 -0.00030 0.00090 -0.00190 O2 0.01790 0.02350 0.01480 -0.00150 0.00160 0.00090 O3 0.02770 0.01980 0.02010 0.00990 0.00340 0.00120 O4 0.01120 0.03400 0.01950 -0.00140 0.00220 0.00020 O5 0.02570 0.02120 0.02230 -0.00560 -0.00280 0.00440 F 0.02490 0.04400 0.01950 0.01000 0.00370 -0.00170 O-H 0.02490 0.04400 0.01950 0.01000 0.00370 -0.00170