#------------------------------------------------------------------------------ #$Date: 2009-11-16 03:43:51 +0200 (Mon, 16 Nov 2009) $ #$Revision: 853 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/1001189.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_1001189 _chemical_name_systematic 'Zinc cadmium tin(IV) oxide (1.6/.4/1/4)' _chemical_formula_structural 'Zn1.6 Cd.4 Sn O4' _chemical_formula_sum 'Cd.4 O4 Sn Zn1.6' _publ_section_title ; Substitution du zinc par le cadmium dans le spinelle Zn~2~ Sn O~4~. Etude de la repartition des cations dans la solution solide Zn~2-2x~ Cd~2x~ Sn O~4~ ; _space_group_IT_number 227 _symmetry_space_group_name_Hall 'F 4d 2 3 -1d' _symmetry_space_group_name_H-M 'F d -3 m :1' _[local]_cod_cif_authors_sg_H-M 'F d -3 m S' loop_ _publ_author_name 'Choisnet, J' 'Deschanvres, A' 'Raveau, B' _journal_name_full ; Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, Sciences Chimiques (1966-) ; _journal_coden_ASTM CHDCAQ _journal_volume 266 _journal_year 1968 _journal_page_first 543 _journal_page_last 545 _cell_length_a 8.76(1) _cell_length_b 8.76(1) _cell_length_c 8.76(1) _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 672.2 _cell_formula_units_Z 8 _symmetry_cell_setting cubic loop_ _symmetry_equiv_pos_as_xyz 'x,y,z' 'y,z,x' 'z,x,y' 'x,z,y' 'y,x,z' 'z,y,x' 'x,-y,-z' 'y,-z,-x' 'z,-x,-y' 'x,-z,-y' 'y,-x,-z' 'z,-y,-x' '-x,y,-z' '-y,z,-x' '-z,x,-y' '-x,z,-y' '-y,x,-z' '-z,y,-x' '-x,-y,z' '-y,-z,x' '-z,-x,y' '-x,-z,y' '-y,-x,z' '-z,-y,x' '1/4-x,1/4-y,1/4-z' '1/4-y,1/4-z,1/4-x' '1/4-z,1/4-x,1/4-y' '1/4-x,1/4-z,1/4-y' '1/4-y,1/4-x,1/4-z' '1/4-z,1/4-y,1/4-x' '1/4-x,1/4+y,1/4+z' '1/4-y,1/4+z,1/4+x' '1/4-z,1/4+x,1/4+y' '1/4-x,1/4+z,1/4+y' '1/4-y,1/4+x,1/4+z' '1/4-z,1/4+y,1/4+x' '1/4+x,1/4-y,1/4+z' '1/4+y,1/4-z,1/4+x' '1/4+z,1/4-x,1/4+y' '1/4+x,1/4-z,1/4+y' '1/4+y,1/4-x,1/4+z' '1/4+z,1/4-y,1/4+x' '1/4+x,1/4+y,1/4-z' '1/4+y,1/4+z,1/4-x' '1/4+z,1/4+x,1/4-y' '1/4+x,1/4+z,1/4-y' '1/4+y,1/4+x,1/4-z' '1/4+z,1/4+y,1/4-x' 'x,1/2+y,1/2+z' '1/2+x,y,1/2+z' '1/2+x,1/2+y,z' 'y,1/2+z,1/2+x' '1/2+y,z,1/2+x' '1/2+y,1/2+z,x' 'z,1/2+x,1/2+y' '1/2+z,x,1/2+y' '1/2+z,1/2+x,y' 'x,1/2+z,1/2+y' '1/2+x,z,1/2+y' '1/2+x,1/2+z,y' 'y,1/2+x,1/2+z' '1/2+y,x,1/2+z' '1/2+y,1/2+x,z' 'z,1/2+y,1/2+x' '1/2+z,y,1/2+x' '1/2+z,1/2+y,x' 'x,1/2-y,1/2-z' '1/2+x,-y,1/2-z' '1/2+x,1/2-y,-z' 'y,1/2-z,1/2-x' '1/2+y,-z,1/2-x' '1/2+y,1/2-z,-x' 'z,1/2-x,1/2-y' '1/2+z,-x,1/2-y' '1/2+z,1/2-x,-y' 'x,1/2-z,1/2-y' '1/2+x,-z,1/2-y' '1/2+x,1/2-z,-y' 'y,1/2-x,1/2-z' '1/2+y,-x,1/2-z' '1/2+y,1/2-x,-z' 'z,1/2-y,1/2-x' '1/2+z,-y,1/2-x' '1/2+z,1/2-y,-x' '-x,1/2+y,1/2-z' '1/2-x,y,1/2-z' '1/2-x,1/2+y,-z' '-y,1/2+z,1/2-x' '1/2-y,z,1/2-x' '1/2-y,1/2+z,-x' '-z,1/2+x,1/2-y' '1/2-z,x,1/2-y' '1/2-z,1/2+x,-y' '-x,1/2+z,1/2-y' '1/2-x,z,1/2-y' '1/2-x,1/2+z,-y' '-y,1/2+x,1/2-z' '1/2-y,x,1/2-z' '1/2-y,1/2+x,-z' '-z,1/2+y,1/2-x' '1/2-z,y,1/2-x' '1/2-z,1/2+y,-x' '-x,1/2-y,1/2+z' '1/2-x,-y,1/2+z' '1/2-x,1/2-y,z' '-y,1/2-z,1/2+x' '1/2-y,-z,1/2+x' '1/2-y,1/2-z,x' '-z,1/2-x,1/2+y' '1/2-z,-x,1/2+y' '1/2-z,1/2-x,y' '-x,1/2-z,1/2+y' '1/2-x,-z,1/2+y' '1/2-x,1/2-z,y' '-y,1/2-x,1/2+z' '1/2-y,-x,1/2+z' '1/2-y,1/2-x,z' '-z,1/2-y,1/2+x' '1/2-z,-y,1/2+x' '1/2-z,1/2-y,x' '1/4-x,3/4-y,3/4-z' '3/4-x,1/4-y,3/4-z' '3/4-x,3/4-y,1/4-z' '1/4-y,3/4-z,3/4-x' '3/4-y,1/4-z,3/4-x' '3/4-y,3/4-z,1/4-x' '1/4-z,3/4-x,3/4-y' '3/4-z,1/4-x,3/4-y' '3/4-z,3/4-x,1/4-y' '1/4-x,3/4-z,3/4-y' '3/4-x,1/4-z,3/4-y' '3/4-x,3/4-z,1/4-y' '1/4-y,3/4-x,3/4-z' '3/4-y,1/4-x,3/4-z' '3/4-y,3/4-x,1/4-z' '1/4-z,3/4-y,3/4-x' '3/4-z,1/4-y,3/4-x' '3/4-z,3/4-y,1/4-x' '1/4-x,3/4+y,3/4+z' '3/4-x,1/4+y,3/4+z' '3/4-x,3/4+y,1/4+z' '1/4-y,3/4+z,3/4+x' '3/4-y,1/4+z,3/4+x' '3/4-y,3/4+z,1/4+x' '1/4-z,3/4+x,3/4+y' '3/4-z,1/4+x,3/4+y' '3/4-z,3/4+x,1/4+y' '1/4-x,3/4+z,3/4+y' '3/4-x,1/4+z,3/4+y' '3/4-x,3/4+z,1/4+y' '1/4-y,3/4+x,3/4+z' '3/4-y,1/4+x,3/4+z' '3/4-y,3/4+x,1/4+z' '1/4-z,3/4+y,3/4+x' '3/4-z,1/4+y,3/4+x' '3/4-z,3/4+y,1/4+x' '1/4+x,3/4-y,3/4+z' '3/4+x,1/4-y,3/4+z' '3/4+x,3/4-y,1/4+z' '1/4+y,3/4-z,3/4+x' '3/4+y,1/4-z,3/4+x' '3/4+y,3/4-z,1/4+x' '1/4+z,3/4-x,3/4+y' '3/4+z,1/4-x,3/4+y' '3/4+z,3/4-x,1/4+y' '1/4+x,3/4-z,3/4+y' '3/4+x,1/4-z,3/4+y' '3/4+x,3/4-z,1/4+y' '1/4+y,3/4-x,3/4+z' '3/4+y,1/4-x,3/4+z' '3/4+y,3/4-x,1/4+z' '1/4+z,3/4-y,3/4+x' '3/4+z,1/4-y,3/4+x' '3/4+z,3/4-y,1/4+x' '1/4+x,3/4+y,3/4-z' '3/4+x,1/4+y,3/4-z' '3/4+x,3/4+y,1/4-z' '1/4+y,3/4+z,3/4-x' '3/4+y,1/4+z,3/4-x' '3/4+y,3/4+z,1/4-x' '1/4+z,3/4+x,3/4-y' '3/4+z,1/4+x,3/4-y' '3/4+z,3/4+x,1/4-y' '1/4+x,3/4+z,3/4-y' '3/4+x,1/4+z,3/4-y' '3/4+x,3/4+z,1/4-y' '1/4+y,3/4+x,3/4-z' '3/4+y,1/4+x,3/4-z' '3/4+y,3/4+x,1/4-z' '1/4+z,3/4+y,3/4-x' '3/4+z,1/4+y,3/4-x' '3/4+z,3/4+y,1/4-x' loop_ _atom_type_symbol _atom_type_oxidation_number Zn2+ 2.000 Cd2+ 2.000 Sn4+ 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 Zn1 Zn2+ 8 a 0. 0. 0. 0.67 0 d Zn2 Zn2+ 16 d 0.625 0.625 0.625 0.465 0 d Cd1 Cd2+ 8 a 0. 0. 0. 0.33 0 d Cd2 Cd2+ 16 d 0.625 0.625 0.625 0.035 0 d Sn1 Sn4+ 16 d 0.625 0.625 0.625 0.5 0 d O1 O2- 32 e 0.39 0.39 0.39 1. 0 d