data_global _amcsd_formula_title 'Cs3YSi8O19' loop_ _publ_author_name 'Kolitsch U' 'Wierzbicka-Wieczorek M' 'Tillmanns E' _journal_name_full 'The Canadian Mineralogist' _journal_volume 47 _journal_year 2009 _journal_page_first 421 _journal_page_last 431 _publ_section_title ; Crystal chemistry and topology of two flux-grown yttrium silicates, BaKYSi2O7 and Cs3YSi8O19 ; _database_code_amcsd 0006289 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'Cs3 Y Si8 O19' _cell_length_a 11.476 _cell_length_b 7.059 _cell_length_c 26.971 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 2184.896 _exptl_crystal_density_diffrn 3.089 _symmetry_space_group_name_H-M 'P n m a' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,1/2-y,z' '-x,1/2+y,-z' '1/2-x,1/2+y,1/2+z' '1/2+x,1/2-y,1/2-z' '1/2+x,y,1/2-z' '1/2-x,-y,1/2+z' '-x,-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 Cs1 0.08478 0.25000 0.45288 1.00000 0.02132 Cs2 0.44859 0.25000 0.45290 1.00000 0.02050 Cs3a -0.06384 0.25000 0.27777 0.75500 0.05950 Cs3b 0.05130 0.25000 0.23180 0.10000 0.08400 Cs3c -0.37170 0.25000 0.31120 0.08200 0.14100 Cs3d -0.24470 0.03620 0.30260 0.03140 0.05200 Y 0.27068 0.75000 0.44432 1.00000 0.00861 Sil 0.25429 0.03007 0.33403 1.00000 0.00964 Si2 0.06203 0.25000 0.79791 1.00000 0.00855 Si3 -0.05905 0.25000 0.69138 1.00000 0.00923 Si4 0.04507 0.25000 0.58776 1.00000 0.00940 Si5 -0.24528 0.03584 0.43776 1.00000 0.00959 Si6 0.42692 0.25000 0.60258 1.00000 0.01003 O1 0.26638 -0.00410 0.39112 1.00000 0.02160 O2 0.24990 0.25000 0.31699 1.00000 0.01610 O3 0.13989 0.06100 0.80173 1.00000 0.02590 O4 -0.13496 0.06000 0.68895 1.00000 0.02980 O5 0.00780 0.25000 0.74333 1.00000 0.01990 O6 -0.03930 0.25000 0.83851 1.00000 0.02140 O7 0.03600 0.25000 0.64806 1.00000 0.03370 O8 -0.07510 0.25000 0.55988 1.00000 0.02050 O9 -0.12050 -0.06420 0.42692 1.00000 0.02560 O10 0.27715 -0.03260 0.50513 1.00000 0.01830 O11 0.34430 0.06330 0.59686 1.00000 0.02100 O12 -0.23220 0.25000 0.41536 1.00000 0.01620 O13 0.53380 0.25000 0.56619 1.00000 0.02280 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 Cs1 0.02058 0.02209 0.02129 0.00000 0.00045 0.00000 Cs2 0.01708 0.02085 0.02357 0.00000 -0.00009 0.00000 Cs3a 0.08810 0.02530 0.06510 0.00000 -0.05160 0.00000 Cs3b 0.12400 0.01700 0.11100 0.00000 -0.10400 0.00000 Cs3c 0.15800 0.15100 0.11400 0.00000 -0.02500 0.00000 Cs3d 0.06400 0.08400 0.00800 0.01000 0.01100 0.00300 Y 0.00849 0.00964 0.00771 0.00000 -0.00021 0.00000 Sil 0.01120 0.00660 0.01110 0.00000 -0.00050 0.00060 Si2 0.00900 0.00940 0.00720 0.00000 -0.00100 0.00000 Si3 0.00850 0.01080 0.00840 0.00000 -0.00170 0.00000 Si4 0.00700 0.01080 0.01040 0.00000 0.00130 0.00000 Si5 0.01020 0.00760 0.01100 0.00000 -0.00038 -0.00150 Si6 0.00780 0.01240 0.00990 0.00000 -0.00170 0.00000 O1 0.03370 0.01790 0.01300 0.00060 0.00040 0.00630 O2 0.02760 0.00590 0.01460 0.00000 -0.00200 0.00000 O3 0.02870 0.02170 0.02730 0.01400 -0.01200 -0.00310 O4 0.02570 0.01800 0.04570 -0.00990 -0.01810 0.00490 O5 0.01900 0.03120 0.00950 0.00000 -0.00550 0.00000 O6 0.02310 0.02900 0.01210 0.00000 0.00810 0.00000 O7 0.02250 0.06700 0.01140 0.00000 0.00500 0.00000 O8 0.01010 0.02850 0.02280 0.00000 -0.00470 0.00000 O9 0.01570 0.01950 0.04150 0.00690 0.00160 -0.00660 O10 0.03030 0.01380 0.01080 -0.00340 0.00180 -0.00110 O11 0.02120 0.02110 0.02090 -0.00980 -0.00530 -0.00270 O12 0.02730 0.00680 0.01460 0.00000 0.00410 0.00000 O13 0.01070 0.03670 0.02090 0.00000 0.00310 0.00000