#------------------------------------------------------------------------------ #$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $ #$Revision: 19 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/1007256.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_1007256 _chemical_name_systematic 'Trigermanium dizinc oxide' _chemical_formula_structural 'Ge3 Zn2 O8' _chemical_formula_sum 'Ge3 O8 Zn2' _publ_section_title ; Preparation de spinelles lacunaires par reaction d'echange a l'etat solide. ; loop_ _publ_author_name 'Joubert, J C' 'Durif, A' _journal_name_full ; Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965) ; _journal_coden_ASTM COREAF _journal_volume 256 _journal_year 1963 _journal_page_first 4403 _journal_page_last 4405 _cell_length_a 8.213(2) _cell_length_b 8.213(2) _cell_length_c 8.213(2) _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 554.0 _cell_formula_units_Z 4 _symmetry_space_group_name_H-M 'P 43 3 2' _symmetry_Int_Tables_number 212 _symmetry_cell_setting cubic loop_ _symmetry_equiv_pos_as_xyz 'x,y,z' '1/2+x,1/2-y,-z' '-x,1/2+y,1/2-z' '1/2-x,-y,1/2+z' 'z,x,y' '-z,1/2+x,1/2-y' '1/2-z,-x,1/2+y' '1/2+z,1/2-x,-y' 'y,z,x' '1/2+y,1/2-z,-x' '-y,1/2+z,1/2-x' '1/2-y,-z,1/2+x' '1/4-x,1/4-z,1/4-y' '3/4+x,3/4-z,1/4+y' '1/4-y,1/4-x,1/4-z' '3/4+y,3/4-x,1/4+z' '1/4-z,1/4-y,1/4-x' '3/4+z,3/4-y,1/4+x' '3/4-x,1/4+z,3/4+y' '1/4+x,3/4+z,3/4-y' '3/4-y,1/4+x,3/4+z' '1/4+y,3/4+x,3/4-z' '3/4-z,1/4+y,3/4+x' '1/4+z,3/4+y,3/4-x' loop_ _atom_type_symbol _atom_type_oxidation_number Ge4+ 4.000 Zn2+ 2.000 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 Ge1 Ge4+ 12 d 0.125 0.363 -0.113 1. 0 d Zn1 Zn2+ 8 c 0.008 0.008 0.008 1. 0 d O1 O2- 24 e 0.137 0.137 0.387 1. 0 d O2 O2- 8 c 0.387 0.387 0.387 1. 0 d _refine_ls_R_factor_all 0.09