data_global _amcsd_formula_title 'Cs2ThSi6O15' loop_ _publ_author_name 'Woodward J D' 'Almond P M' 'Albrecht-Schmitt T E' _journal_name_full 'Acta Crystallographica, Section E' _journal_volume 61 _journal_year 2005 _journal_page_first i58 _journal_page_last i60 _publ_section_title ; Caesium thorium silicate, Cs2ThSi6O15 ; _database_code_amcsd 0010442 _chemical_formula_sum 'Cs2 Th Si6 O15' _cell_length_a 16.2920 _cell_length_b 7.2154 _cell_length_c 13.6800 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 1608.129 _exptl_crystal_density_diffrn 3.744 _symmetry_space_group_name_H-M 'P c a 21' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,-y,z' '1/2-x,y,1/2+z' '-x,-y,1/2+z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv Cs1 0.03198 0.75571 -0.00043 0.02933 Cs2 0.14389 0.77550 0.31009 0.04080 Th 0.12009 0.28758 0.14972 0.00868 Si1 -0.07690 0.45300 0.22150 0.01070 Si2 -0.05602 0.03590 0.22880 0.00960 Si3 0.30808 0.01390 0.07470 0.01050 Si4 0.28295 0.58100 0.07130 0.00980 Si5 0.10902 0.24960 -0.11800 0.00840 Si6 0.20396 0.28060 0.40610 0.01050 O1 0.01140 0.48730 0.17800 0.01610 O2 -0.09130 0.56680 0.32040 0.02420 O3 -0.14720 0.50280 0.14220 0.02250 O4 -0.09050 0.24040 0.25650 0.01410 O5 0.03510 0.04030 0.18790 0.01170 O6 -0.11690 -0.05620 0.15030 0.01850 O7 0.22270 0.08510 0.11570 0.02020 O8 0.30540 -0.20480 0.04710 0.01370 O9 0.33650 0.12140 -0.02490 0.01550 O10 0.19380 0.55570 0.11770 0.01770 O11 0.07820 0.27250 -0.00850 0.01920 O12 0.05930 0.08360 -0.16990 0.01470 O13 0.14700 0.31130 0.31230 0.02130 O14 0.29380 0.20230 0.37650 0.01880 O15 0.21080 0.47460 0.46670 0.01840 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 0.03800 0.02730 0.02270 0.00860 0.00410 0.00560 Cs2 0.06560 0.02820 0.02860 0.01750 -0.01350 -0.00320 Th 0.00769 0.01052 0.00783 0.00003 0.00036 0.00000 Si1 0.01110 0.01020 0.01090 -0.00020 -0.00030 -0.00020 Si2 0.01150 0.00770 0.00960 -0.00330 0.00050 0.00140 Si3 0.01090 0.00880 0.01190 0.00330 0.00020 -0.00240 Si4 0.01000 0.00850 0.01100 -0.00340 0.00010 0.00180 Si5 0.00710 0.00880 0.00950 -0.00060 -0.00260 -0.00010 Si6 0.01010 0.01270 0.00870 0.00210 -0.00070 -0.00080 O1 0.01800 0.00600 0.02400 0.00300 0.00200 0.00200 O2 0.03600 0.02400 0.01300 0.00200 0.00300 -0.00500 O3 0.02100 0.01000 0.03600 -0.00100 -0.01200 -0.00100 O4 0.01800 0.00300 0.02100 -0.00200 0.00500 -0.00100 O5 0.01200 0.00700 0.01700 0.00000 0.00200 0.00500 O6 0.01700 0.01500 0.02300 -0.00300 -0.00900 0.00000 O7 0.02100 0.02400 0.01500 0.00800 0.00000 -0.00500 O8 0.01100 0.00800 0.02200 0.00200 0.00200 -0.00300 O9 0.02000 0.01200 0.01400 0.00300 -0.00100 0.00500 O10 0.00800 0.02000 0.02500 -0.00300 0.00000 0.00000 O11 0.02000 0.02700 0.01000 0.00000 -0.00200 -0.00100 O12 0.01400 0.01800 0.01200 -0.00300 -0.00100 -0.00400 O13 0.02700 0.03000 0.00700 0.00300 0.00000 0.00400 O14 0.00700 0.03100 0.01800 0.00200 0.00100 -0.00100 O15 0.02400 0.01100 0.02000 -0.00200 0.00000 -0.00100