data_global _amcsd_formula_title 'BaSc2Si3O10' loop_ _publ_author_name 'Wierzbicka-Wieczorek M' 'Kolitsch U' 'Tillmanns E' _journal_name_full 'European Journal of Mineralogy' _journal_volume 22 _journal_year 2010 _journal_page_first 245 _journal_page_last 258 _publ_section_title ; Synthesis and structural study of five new trisilicates, BaREE2Si3O10 (REE = Gd, Er, Yb, Sc) and SrY2Si3O10, including a review on the geometry of the Si3O10 unit ; _database_code_amcsd 0017782 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'Ba Sc2 Si3 O10' _cell_length_a 5.273 _cell_length_b 11.9181 _cell_length_c 6.591 _cell_angle_alpha 90 _cell_angle_beta 107.06 _cell_angle_gamma 90 _cell_volume 395.980 _exptl_crystal_density_diffrn 3.954 _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 0.76012 0.25000 0.02596 0.00801 Sc 0.15220 0.10169 0.67722 0.00500 Si1 0.57325 0.25000 0.48861 0.00458 Si2 0.30205 0.05428 0.20976 0.00468 O1 0.34660 0.25000 0.60850 0.00650 O2 0.87640 0.25000 0.63750 0.00630 O3 0.54140 0.14231 0.33200 0.00870 O4 0.45470 -0.06061 0.19940 0.00800 O5 0.14940 0.11263 -0.01350 0.00890 O6 0.09950 0.04364 0.35700 0.00690 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 0.00872 0.00892 0.00713 0.00000 0.00345 0.00000 Sc 0.00530 0.00548 0.00416 -0.00060 0.00128 -0.00031 Si1 0.00380 0.00580 0.00420 0.00000 0.00140 0.00000 Si2 0.00490 0.00520 0.00400 0.00035 0.00150 0.00043 O1 0.00650 0.00600 0.00820 0.00000 0.00410 0.00000 O2 0.00470 0.00720 0.00590 0.00000 -0.00020 0.00000 O3 0.00890 0.00910 0.00940 -0.00260 0.00460 -0.00380 O4 0.00640 0.00640 0.01040 0.00110 0.00130 -0.00070 O5 0.01050 0.01050 0.00560 0.00330 0.00220 0.00130 O6 0.00700 0.00870 0.00540 -0.00200 0.00260 -0.00150