data_global _chemical_name_mineral 'Litidionite' loop_ _publ_author_name 'Pozas J M M' 'Rossi G' 'Tazzoli V' _journal_name_full 'American Mineralogist' _journal_volume 60 _journal_year 1975 _journal_page_first 471 _journal_page_last 474 _publ_section_title ; Re-examination and crystal structure analysis of litidionite ; _database_code_amcsd 0000464 _chemical_formula_sum 'K Na Cu Si4 O10' _cell_length_a 9.800 _cell_length_b 8.010 _cell_length_c 6.970 _cell_angle_alpha 114.1 _cell_angle_beta 99.5 _cell_angle_gamma 105.6 _cell_volume 456.932 _exptl_crystal_density_diffrn 2.893 _symmetry_space_group_name_H-M 'P -1' loop_ _space_group_symop_operation_xyz 'x,y,z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv K 0.00380 0.20330 0.33480 0.02001 Na 0.40900 0.12950 0.66330 0.01988 Cu 0.41220 0.12870 0.16240 0.00937 Si1 0.85930 0.17420 0.81190 0.00823 Si2 0.72220 0.35450 0.56640 0.00836 Si3 0.21100 0.28770 0.95820 0.00747 Si4 0.72560 0.38250 0.15570 0.00861 O1 0.56820 0.20720 0.03230 0.01583 O2 0.27160 0.11610 0.91660 0.01317 O3 0.85350 0.33200 0.04520 0.01545 O4 0.03020 0.18510 0.85490 0.02077 O5 0.25210 0.04320 0.28030 0.01697 O6 0.79430 0.43140 0.41020 0.01520 O7 0.55610 0.20170 0.44590 0.01646 O8 0.25620 0.44710 0.21550 0.02229 O9 0.83310 0.25350 0.63230 0.01646 O10 0.27160 0.40720 0.82860 0.02039 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 K 0.02175 0.01264 0.02259 0.00434 0.00683 0.00642 Na 0.01816 0.02433 0.01492 0.00441 0.00743 0.00875 Cu 0.00727 0.01126 0.00838 0.00174 0.00195 0.00548 Si1 0.00624 0.01088 0.00924 0.00335 0.00352 0.00573 Si2 0.01172 0.00817 0.00565 0.00273 0.00320 0.00400 Si3 0.00895 0.00732 0.00696 0.00380 0.00317 0.00326 Si4 0.01214 0.00876 0.00616 0.00221 0.00353 0.00470 O1 0.01357 0.01854 0.00972 -0.00075 0.00054 0.00665 O2 0.01583 0.01342 0.01425 0.00920 0.00448 0.00796 O3 0.01516 0.01299 0.01350 0.00260 0.00435 0.00360 O4 0.00724 0.01395 0.03215 0.00462 -0.00027 0.00496 O5 0.01718 0.01497 0.01884 0.00343 0.00898 0.00829 O6 0.01506 0.01925 0.00946 0.00069 0.00152 0.00904 O7 0.01189 0.02184 0.01269 -0.00001 0.00247 0.00966 O8 0.03738 0.01914 0.01060 0.01422 0.00696 0.00548 O9 0.02274 0.02214 0.01336 0.01294 0.00929 0.01277 O10 0.03418 0.01620 0.02704 0.01565 0.02069 0.01687