#------------------------------------------------------------------------------ #$Date: 2015-07-12 17:25:07 +0300 (Sun, 12 Jul 2015) $ #$Revision: 146783 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/52/57/1525738.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_1525738 loop_ _publ_author_name 'Capitan, M.J.' 'Laurent, Y.' 'Louis dit Picard, C.' 'Odriozola, J.A.' _publ_section_title ; The crystalline structure of germanium oxynitrides within the Cd Zn Ge O N family ; _journal_name_full 'Materials Science Forum' _journal_page_first 25 _journal_page_last 30 _journal_volume 325 _journal_year 2000 _chemical_formula_sum 'Cd0.8 Ge0.87 N1.1 O0.9' _chemical_name_systematic '(Cd0.8 Ge0.87) (O0.9 N1.1)' _space_group_IT_number 33 _symmetry_space_group_name_Hall 'P 2c -2n' _symmetry_space_group_name_H-M 'P n a 21' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 5.768 _cell_length_b 6.806 _cell_length_c 5.396 _cell_volume 211.831 _citation_journal_id_ASTM MSFOEP _cod_data_source_file Capitan_MSFOEP_2000_365.cif _cod_data_source_block Cd0.8Ge0.87N1.1O0.9 _cod_original_cell_volume 211.8308 _cod_database_code 1525738 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x,-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_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_U_iso_or_equiv O2 O-2 0.08 0.63 0.375 0.45 0.0 Ge1 Ge+4 0.077 0.129 0.01 0.87 0.0 N2 N-3 0.08 0.63 0.375 0.55 0.0 Cd1 Cd+2 0.08 0.622 0 0.8 0.0 O1 O-2 0.08 0.115 0.388 0.45 0.0 N1 N-3 0.08 0.115 0.388 0.55 0.0