#------------------------------------------------------------------------------ #$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $ #$Revision: 19 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/1009057.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_1009057 _chemical_name_systematic 'Disodium zinc germanate' _chemical_formula_structural 'Na2 Zn (Ge O4)' _chemical_formula_sum 'Ge Na2 O4 Zn' _publ_section_title ; The crystal structures of Na2 Zn Si O4, Na2 Zn Ge O4 and Na2 Mg Ge O4 ; loop_ _publ_author_name 'Joubert-Bettan, C A' 'Lachenal, R' 'Bertaut, E F' 'Parthe, E' _journal_name_full 'Journal of Solid State Chemistry' _journal_coden_ASTM JSSCBI _journal_volume 1 _journal_year 1969 _journal_page_first 1 _journal_page_last 5 _cell_length_a 7.17 _cell_length_b 5.56 _cell_length_c 5.32 _cell_angle_alpha 90 _cell_angle_beta 90.1 _cell_angle_gamma 90 _cell_volume 212.1 _cell_formula_units_Z 2 _symmetry_space_group_name_H-M 'P 1 n 1' _symmetry_Int_Tables_number 7 _symmetry_cell_setting monoclinic loop_ _symmetry_equiv_pos_as_xyz 'x,y,z' '1/2+x,-y,1/2+z' loop_ _atom_type_symbol _atom_type_oxidation_number Na1+ 1.000 Zn2+ 2.000 Ge4+ 4.000 O2- -2.000 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 Na1 Na1+ 2 a 0.746 0.695 0.997 1. 0 d Na2 Na1+ 2 a 0.505 0.177 0.997 1. 0 d Zn1 Zn2+ 2 a 0.003 0.192 0.999 1. 0 d Ge1 Ge4+ 2 a 0.245 0.688 0. 1. 0 d O1 O2- 2 a 0.724 0.601 0.435 1. 0 d O2 O2- 2 a 0.556 0.154 0.437 1. 0 d O3 O2- 2 a 0.935 0.221 0.359 1. 0 d O4 O2- 2 a 0.286 0.689 0.302 1. 0 d _refine_ls_R_factor_all 0.15