data_global _amcsd_formula_title 'BaYb6(Si2O7)2(Si3O10)' loop_ _publ_author_name 'Wierzbicka-Wieczorek M' 'Kolitsch U' _journal_name_full 'European Journal of Mineralogy' _journal_volume 25 _journal_year 2013 _journal_page_first 509 _journal_page_last 517 _publ_section_title ; BaYb6(Si2O7)2(Si3O10) - the first silicate containing both Si2O7 and Si3O10 groups: synthesis, crystal chemistry and topology ; _database_code_amcsd 0020146 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'Ba Yb6 Si7 O24' _cell_length_a 5.5173 _cell_length_b 27.260 _cell_length_c 6.8150 _cell_angle_alpha 90 _cell_angle_beta 106.73 _cell_angle_gamma 90 _cell_volume 981.601 _exptl_crystal_density_diffrn 5.942 _symmetry_space_group_name_H-M 'P 1 21/m 1' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,1/2-y,z' '-x,1/2+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 Ba 0.27860 0.75000 0.89394 0.00921 Yb1 0.87543 0.68428 0.22918 0.00507 Yb2 0.21851 0.59885 0.58985 0.00513 Yb3 0.81728 0.54256 0.81920 0.00526 Si1 0.27820 0.47419 0.70010 0.00470 Si2 0.32070 0.61194 0.11380 0.00500 Si3 0.74970 0.66780 0.70230 0.00480 Si4 0.45580 0.75000 0.42570 0.00480 O1 0.10960 0.45207 0.48470 0.00510 O2 0.41310 0.52557 0.67370 0.00780 O3 0.50840 0.43600 0.79600 0.01820 O4 0.11010 0.48108 0.85900 0.00970 O5 0.49100 0.65880 0.10140 0.01300 O6 0.13980 0.59528 -0.10960 0.00710 O7 0.15080 0.62316 0.27050 0.00880 O8 0.88100 0.69510 0.91550 0.01070 O9 0.62210 0.61575 0.72560 0.00800 O10 0.94520 0.66496 0.56290 0.00780 O11 0.49950 0.70217 0.57760 0.00880 O12 0.65010 0.75000 0.29000 0.00520 O13 0.16050 0.75000 0.28750 0.00650 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 Ba 0.00840 0.01150 0.00790 0.00000 0.00270 0.00000 Yb1 0.00519 0.00531 0.00453 0.00036 0.00114 0.00008 Yb2 0.00416 0.00614 0.00471 0.00017 0.00070 0.00071 Yb3 0.00458 0.00635 0.00459 0.00045 0.00093 0.00123 Si1 0.00270 0.00640 0.00420 0.00060 -0.00030 -0.00060 Si2 0.00480 0.00610 0.00380 0.00140 0.00070 -0.00040 Si3 0.00490 0.00520 0.00370 0.00040 0.00010 0.00040 Si4 0.00390 0.00650 0.00420 0.00000 0.00150 0.00000 O1 0.00400 0.00700 0.00300 -0.00260 -0.00140 0.00040 O2 0.00800 0.00500 0.01100 -0.00240 0.00400 -0.00100 O4 0.01000 0.00700 0.01300 0.00000 0.00500 -0.00100 O5 0.00800 0.01900 0.01100 -0.00400 0.00100 -0.00300 O6 0.00500 0.01000 0.00700 -0.00190 0.00130 -0.00180 O7 0.00700 0.01300 0.00800 0.00520 0.00490 0.00000 O8 0.01300 0.00800 0.01100 -0.00300 0.00300 0.00000 O9 0.00400 0.00600 0.01200 -0.00080 -0.00090 -0.00100 O10 0.00600 0.01200 0.00700 0.00480 0.00350 0.00000 O11 0.00800 0.01100 0.00600 0.00310 0.00060 0.00400 O12 0.00600 0.00300 0.00900 0.00000 0.00500 0.00000 O13 0.00500 0.00500 0.00900 0.00000 0.00100 0.00000