data_global _amcsd_formula_title 'Sm2Ti2O5S2' loop_ _publ_author_name 'Boyer C' 'Deudon C' 'Meerschaut A' _journal_name_full 'Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences' _journal_volume 2 _journal_year 1999 _journal_page_first 93 _journal_page_last 99 _publ_section_title ; Synthesis and structure determination of the new Sm2Ti2O5S2 compound _cod_database_code 1009075 ; _database_code_amcsd 0016936 _chemical_formula_sum 'Sm2 Ti2 S2 O5' _cell_length_a 3.819 _cell_length_b 3.819 _cell_length_c 22.96399 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 334.924 _exptl_crystal_density_diffrn 5.361 _symmetry_space_group_name_H-M 'I 4/m m m' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,1/2+z' '-y,-x,z' '1/2-y,1/2-x,1/2+z' 'y,x,-z' '1/2+y,1/2+x,1/2-z' 'y,-x,-z' '1/2+y,1/2-x,1/2-z' '-y,x,z' '1/2-y,1/2+x,1/2+z' 'x,-y,z' '1/2+x,1/2-y,1/2+z' '-x,y,-z' '1/2-x,1/2+y,1/2-z' 'x,y,-z' '1/2+x,1/2+y,1/2-z' '-x,-y,z' '1/2-x,1/2-y,1/2+z' 'y,x,z' '1/2+y,1/2+x,1/2+z' '-y,-x,-z' '1/2-y,1/2-x,1/2-z' '-y,x,-z' '1/2-y,1/2+x,1/2-z' 'y,-x,z' '1/2+y,1/2-x,1/2+z' '-x,y,z' '1/2-x,1/2+y,1/2+z' 'x,-y,-z' '1/2+x,1/2-y,1/2-z' '-x,-y,-z' '1/2-x,1/2-y,1/2-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Sm 0.00000 0.00000 0.16616 Ti 0.50000 0.50000 0.07811 S 0.50000 0.50000 0.20368 O1 0.50000 0.50000 0.00000 O2 0.50000 0.00000 0.09750 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 Sm 0.00180 0.00180 0.00006 0.00000 0.00000 0.00000