#------------------------------------------------------------------------------ #$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176429 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/52/70/1527013.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/ # # All data on this site have been placed in the public domain by the # contributors. # data_1527013 loop_ _publ_author_name 'Yang, Y.-T.' 'Ibers, J.A.' _publ_section_title ; Accidental silicon-containing compounds: crystal structures of La3 Al0.44 Si0.93 S7, Ba Sm4 (Si O4)3 Se, and monoclinic and orthorhombic Ln2 (Si O4) Te (Ln = Nd and Sm) ; _journal_name_full 'Journal of Solid State Chemistry' _journal_page_first 433 _journal_page_last 440 _journal_volume 155 _journal_year 2000 _chemical_formula_sum 'O4 Si Sm2 Te' _chemical_name_systematic 'Sm2 (Si O4) Te' _space_group_IT_number 14 _symmetry_space_group_name_Hall '-P 2ybc' _symmetry_space_group_name_H-M 'P 1 21/c 1' _cell_angle_alpha 90 _cell_angle_beta 94.87 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 9.76 _cell_length_b 6.357 _cell_length_c 8.601 _cell_volume 531.717 _citation_journal_id_ASTM JSSCBI _cod_data_source_file Yang_JSSCBI_2000_69.cif _cod_data_source_block O4Si1Sm2Te1 _cod_original_cell_volume 531.7167 _cod_original_formula_sum 'O4 Si1 Sm2 Te1' _cod_database_code 1527013 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x,y+1/2,-z+1/2 -x,-y,-z x,-y-1/2,z-1/2 loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_U_iso_or_equiv O2 O-2 0.1257 0.3672 0.3724 1 0.0 O4 O-2 0.2493 0.3648 0.0896 1 0.0 Te1 Te-2 0.5919 0.21529 0.11461 1 0.0 O1 O-2 0.0213 0.8053 0.4227 1 0.0 O3 O-2 0.1562 0.0088 0.184 1 0.0 Sm1 Sm+3 0.10831 0.65375 0.19395 1 0.0 Sm2 Sm+3 0.3477 0.19713 0.33507 1 0.0 Si1 Si+4 0.1256 0.1903 0.0565 1 0.0