#------------------------------------------------------------------------------ #$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176429 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/53/56/1535667.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_1535667 loop_ _publ_author_name 'Mueller, H.' 'Hoppe, R.' _publ_section_title ; Zur Kristallstruktur von KGaO2 und NaGaO2(II) ; _journal_name_full 'Zeitschrift fuer Anorganische und Allgemeine Chemie' _journal_page_first 73 _journal_page_last 80 _journal_volume 611 _journal_year 1992 _chemical_formula_sum 'Ga Na O2' _chemical_name_systematic 'Na Ga O2' _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 5.498 _cell_length_b 7.206 _cell_length_c 5.298 _cell_volume 209.899 _citation_journal_id_ASTM ZAACAB _cod_data_source_file Mueller_ZAACAB_1992_105.cif _cod_data_source_block Ga1Na1O2 _cod_original_cell_volume 209.8993 _cod_original_formula_sum 'Ga1 Na1 O2' _cod_database_code 1535667 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 Na1 Na+1 0.5659 0.8769 0.0111 1 0.0 O1 O-2 0.3847 0.1649 0.08 1 0.0 O2 O-2 0.9636 0.9136 0.1584 1 0.0 Ga1 Ga+3 0.0633 0.126 0 1 0.0