#------------------------------------------------------------------------------ #$Date: 2013-03-28 18:17:04 +0200 (Thu, 28 Mar 2013) $ #$Revision: 77586 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/00/17/1001786.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_1001786 loop_ _publ_author_name 'Baraton, M I' 'Billy, M' 'Labbe, J C' 'Quintard, P' 'Roult, G' _publ_section_title ; L'Oxynitrure de Silicium : Si2 N2 O II. Evolution Structurale et Endommagement par Irradiation aux Neutrons Rapides ; _journal_coden_ASTM MRBUAC _journal_name_full 'Materials Research Bulletin' _journal_page_first 1087 _journal_page_last 1099 _journal_volume 23 _journal_year 1988 _chemical_compound_source synthetic _chemical_formula_structural 'Si2 N2 O' _chemical_formula_sum 'N2 O Si2' _chemical_name_mineral 'Sinoite irradiated' _chemical_name_systematic ; Disilicon dinitride oxide - irradiated sample ; _symmetry_cell_setting orthorhombic _symmetry_Int_Tables_number 36 _symmetry_space_group_name_H-M 'C m c 21' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 8.8911(2) _cell_length_b 5.4781(3) _cell_length_c 4.8302(2) _cell_volume 235.3 _exptl_crystal_density_meas 2.77 _cod_database_code 1001786 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x,y,z -x,-y,1/2+z x,-y,1/2+z 1/2+x,1/2+y,z 1/2-x,1/2+y,z 1/2-x,1/2-y,1/2+z 1/2+x,1/2-y,1/2+z loop_ _atom_site_label _atom_site_type_symbol _atom_site_symmetry_multiplicity _atom_site_Wyckoff_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_attached_hydrogens _atom_site_calc_flag Si1 Si4+ 8 b 0.1793 0.1512 0.2798 1. 0 d O1 O2- 4 a 0. 0.218 0.23 1. 0 d N1 N3- 8 b 0.2159 0.129 0.6362 1. 0 d loop_ _atom_type_symbol _atom_type_oxidation_number Si4+ 4.000 O2- -2.000 N3- -3.000