#------------------------------------------------------------------------------ #$Date: 2010-01-30 14:59:17 +0100 (Sat, 30 Jan 2010) $ #$Revision: 966 $ #$URL: svn://www.crystallography.net/cod/cif/1/1007142.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_1007142 _chemical_name_systematic 'Bismuth germanate' _chemical_formula_structural 'Bi4 (Ge O4)3' _chemical_formula_sum 'Bi4 Ge3 O12' _publ_section_title ; Affinement de la structure cristalline du germanate de bismuth Bi~4~ (Ge O~4~)~3~. ; loop_ _publ_author_name 'Durif, A' 'Averbuch-Pouchot, M T' _journal_name_full ; Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, Sciences Chimiques (1966-) ; _journal_coden_ASTM CHDCAQ _journal_volume 295 _journal_year 1982 _journal_page_first 555 _journal_page_last 556 _cell_length_a 10.497(8) _cell_length_b 10.497(8) _cell_length_c 10.497(8) _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 1156.6 _cell_formula_units_Z 4 _symmetry_space_group_name_H-M 'I -4 3 d' _symmetry_Int_Tables_number 220 _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' '1/4+x,1/4+z,1/4+y' '3/4+x,1/4-z,3/4-y' '1/4-x,3/4-z,3/4+y' '3/4-x,3/4+z,1/4-y' 'y,z,x' '1/2-y,-z,1/2+x' '1/2+y,1/2-z,-x' '-y,1/2+z,1/2-x' '1/4+z,1/4+y,1/4+x' '1/4-z,3/4-y,3/4+x' '3/4-z,3/4+y,1/4-x' '3/4+z,1/4-y,3/4-x' 'z,x,y' '-z,1/2+x,1/2-y' '1/2-z,-x,1/2+y' '1/2+z,1/2-x,-y' '1/4+y,1/4+x,1/4+z' '3/4-y,3/4+x,1/4-z' '3/4+y,1/4-x,3/4-z' '1/4-y,3/4-x,3/4+z' '1/2+x,1/2+y,1/2+z' 'x,-y,1/2-z' '1/2-x,y,-z' '-x,1/2-y,z' '3/4+x,3/4+z,3/4+y' '1/4+x,3/4-z,1/4-y' '3/4-x,1/4-z,1/4+y' '1/4-x,1/4+z,3/4-y' '1/2+y,1/2+z,1/2+x' '-y,1/2-z,x' 'y,-z,1/2-x' '1/2-y,z,-x' '3/4+z,3/4+y,3/4+x' '3/4-z,1/4-y,1/4+x' '1/4-z,1/4+y,3/4-x' '1/4+z,3/4-y,1/4-x' '1/2+z,1/2+x,1/2+y' '1/2-z,x,-y' '-z,1/2-x,y' 'z,-x,1/2-y' '3/4+y,3/4+x,3/4+z' '1/4-y,1/4+x,3/4-z' '1/4+y,3/4-x,1/4-z' '3/4-y,1/4-x,1/4+z' loop_ _atom_type_symbol _atom_type_oxidation_number Bi3+ 3.000 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 Bi1 Bi3+ 16 c 0.08746(13) 0.08746(13) 0.08746(13) 1. 0 d Ge1 Ge4+ 12 a 0.375 0. 0.25 1. 0 d O1 O2- 48 e 0.06948(92) 0.12673(90) 0.28873(84) 1. 0 d _refine_ls_R_factor_all 0.017 _cod_database_code 1007142