#------------------------------------------------------------------------------ #$Date: 2015-09-28 12:35:42 +0300 (Mon, 28 Sep 2015) $ #$Revision: 158442 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/53/25/1532514.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_1532514 loop_ _publ_author_name 'Kroll, P.' 'Milko, M.' _publ_section_title ; Theoretical investigation of the solid state reaction of silicon nitride and silicon dioxide forming silicon oxynitride (Si2 N2 O) under pressure ; _journal_name_full 'Zeitschrift fuer Anorganische und Allgemeine Chemie' _journal_page_first 1737 _journal_page_last 1750 _journal_volume 629 _journal_year 2003 _chemical_formula_sum 'O2 Si' _chemical_name_systematic 'Si O2' _space_group_IT_number 136 _symmetry_space_group_name_Hall '-P 4n 2n' _symmetry_space_group_name_H-M 'P 42/m n m' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 2 _cell_length_a 4.2244 _cell_length_b 4.2244 _cell_length_c 2.6896 _cell_volume 47.997 _citation_journal_id_ASTM ZAACAB _cod_data_source_file Kroll_ZAACAB_2003_1067.cif _cod_data_source_block O2Si1 _cod_original_cell_volume 47.99741 _cod_chemical_formula_sum_orig 'O2 Si1' _cod_database_code 1532514 loop_ _symmetry_equiv_pos_as_xyz x,y,z -y+1/2,x+1/2,z+1/2 -x,-y,z y+1/2,-x+1/2,z+1/2 x+1/2,-y+1/2,-z+1/2 y,x,-z -x+1/2,y+1/2,-z+1/2 -y,-x,-z -x,-y,-z y-1/2,-x-1/2,-z-1/2 x,y,-z -y-1/2,x-1/2,-z-1/2 -x-1/2,y-1/2,z-1/2 -y,-x,z x-1/2,-y-1/2,z-1/2 y,x,z 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 O1 O-2 0.3069 0.3069 0 1 0.0 Si1 Si+4 0 0 0 1 0.0