#------------------------------------------------------------------------------ #$Date: 2015-07-12 21:59:18 +0300 (Sun, 12 Jul 2015) $ #$Revision: 148300 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/52/70/1527012.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_1527012 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 'Nd2 O4 Si Te' _chemical_name_systematic 'Nd2 (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 94.6 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 9.823 _cell_length_b 6.421 _cell_length_c 8.676 _cell_volume 545.463 _citation_journal_id_ASTM JSSCBI _cod_data_source_file Yang_JSSCBI_2000_68.cif _cod_data_source_block Nd2O4Si1Te1 _cod_original_cell_volume 545.4628 _cod_chemical_formula_sum_orig 'Nd2 O4 Si1 Te1' _cod_database_code 1527012 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 0.1263 0.3674 0.3753 1 0.0 O1 O-2 0.0186 0.8077 0.4215 1 0.0 O3 O-2 0.1555 0.0118 0.1849 1 0.0 Si1 Si+4 0.1263 0.1896 0.0564 1 0.0 O4 O-2 0.2498 0.3585 0.0905 1 0.0 Nd2 Nd+3 0.34851 0.19635 0.3354 1 0.0 Nd1 Nd+3 0.10634 0.65256 0.19324 1 0.0 Te1 Te-2 0.59479 0.21409 0.11322 1 0.0