#------------------------------------------------------------------------------ #$Date: 2015-07-12 21:59:37 +0300 (Sun, 12 Jul 2015) $ #$Revision: 148303 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/52/70/1527015.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_1527015 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 57 _symmetry_space_group_name_Hall '-P 2c 2b' _symmetry_space_group_name_H-M 'P b c m' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 6.201 _cell_length_b 7.091 _cell_length_c 11.077 _cell_volume 487.070 _citation_journal_id_ASTM JSSCBI _cod_data_source_file Yang_JSSCBI_2000_72.cif _cod_data_source_block O4Si1Sm2Te1 _cod_original_cell_volume 487.07 _cod_chemical_formula_sum_orig 'O4 Si1 Sm2 Te1' _cod_database_code 1527015 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x,-y,z+1/2 x,-y+1/2,-z -x,y+1/2,-z+1/2 -x,-y,-z x,y,-z-1/2 -x,y-1/2,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 Si1 Si+4 0.1129 0.25 0 1 0.0 O2 O-2 0.27 0.0747 0.0347 1 0.0 Sm2 Sm+3 0.61065 0.25 0 1 0.0 Te1 Te-2 0.40356 0.41621 0.25 1 0.0 Sm1 Sm+3 0.11269 0.03591 0.25 1 0.0 O1 O-2 0.0503 0.7671 0.1161 1 0.0