data_global _amcsd_formula_title 'BaGd2Si3O10' 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 0017779 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'Ba Gd2 Si3 O10' _cell_length_a 5.435 _cell_length_b 12.241 _cell_length_c 6.932 _cell_angle_alpha 90 _cell_angle_beta 106.26 _cell_angle_gamma 90 _cell_volume 442.738 _exptl_crystal_density_diffrn 5.221 _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 0.76309 0.25000 0.01950 0.01043 Gd 0.16111 0.09728 0.68786 0.00711 Si1 0.58570 0.25000 0.49058 0.00606 Si2 0.30424 0.06480 0.21522 0.00630 O1 0.38020 0.25000 0.61840 0.00840 O2 0.87780 0.25000 0.63410 0.00720 O3 0.55020 0.14270 0.34230 0.01140 O4 0.42350 -0.05280 0.18890 0.01230 O5 0.17150 0.12720 0.00830 0.01190 O6 0.09930 0.05570 0.34890 0.01030 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 0.01082 0.01265 0.00833 0.00000 0.00353 0.00000 Gd 0.00864 0.00756 0.00498 -0.00145 0.00171 -0.00072 Si1 0.00530 0.00890 0.00410 0.00000 0.00150 0.00000 Si2 0.00720 0.00730 0.00460 0.00060 0.00180 0.00040 O1 0.00870 0.00690 0.01060 0.00000 0.00440 0.00000 O2 0.00400 0.00730 0.00750 0.00000 -0.00280 0.00000 O3 0.00860 0.01480 0.01120 -0.00290 0.00340 -0.00550 O4 0.01230 0.00970 0.01380 0.00310 0.00190 -0.00090 O5 0.01490 0.01480 0.00620 0.00420 0.00330 0.00150 O6 0.00990 0.01460 0.00720 -0.00370 0.00380 -0.00270