#------------------------------------------------------------------------------ #$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176429 $ #$URL: file:///home/coder/svn-repositories/cod/cif/8/10/43/8104360.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_8104360 loop_ _publ_author_name 'Halwax, E.' 'Voellenkle, H.' _publ_section_title ; Die Kristallstruktur des Kaliummetagermanats, K2 Ge O3 ; _journal_name_full 'Zeitschrift fuer Kristallographie (149,1979-)' _journal_page_first 63 _journal_page_last 71 _journal_volume 169 _journal_year 1984 _chemical_formula_sum 'Ge K2 O3' _chemical_name_systematic 'K2 Ge O3' _space_group_IT_number 61 _symmetry_space_group_name_Hall '-P 2ac 2ab' _symmetry_space_group_name_H-M 'P b c a' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 40 _cell_length_a 23.033 _cell_length_b 32.887 _cell_length_c 5.453 _cell_volume 4130.573 _citation_journal_id_ASTM ZEKRDZ _cod_data_source_file Halwax_ZEKRDZ_1984_1973.cif _cod_data_source_block Ge1K2O3 _cod_original_formula_sum 'Ge1 K2 O3' _cod_database_code 8104360 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x+1/2,-y,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-1/2 -x-1/2,y-1/2,z x,-y-1/2,z-1/2 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 K5 K+1 0.1872 0.0715 0.7579 1 0.0 K2 K+1 0.0275 0.0938 0.7468 1 0.0 K8 K+1 0.3039 0.1702 0.7441 1 0.0 K9 K+1 0.439 0.1319 0.2535 1 0.0 K7 K+1 0.2842 0.0979 0.255 1 0.0 K4 K+1 0.2 0.001 0.2611 1 0.0 O1 O-2 0.0492 0.1078 0.24 1 0.0 O7 O-2 0.3123 0.0121 0.263 1 0.0 Ge1 Ge+4 0.12165 0.1184 0.2758 1 0.0 O9 O-2 0.4076 0.0449 0.563 1 0.0 O14 O-2 0.4408 0.2145 0.232 1 0.0 K6 K+1 0.223 0.2164 0.2416 1 0.0 O2 O-2 0.1687 0.0775 0.246 1 0.0 O4 O-2 0.1456 0.1599 0.088 1 0.0 Ge4 Ge+4 0.37922 0.08198 0.7704 1 0.0 O10 O-2 0.402 0.062 0.06 1 0.0 O11 O-2 0.3053 0.0833 0.755 1 0.0 Ge2 Ge+4 0.13539 0.17902 0.7771 1 0.0 Ge5 Ge+4 0.36759 0.22027 0.2279 1 0.0 O12 O-2 0.4173 0.1251 0.736 1 0.0 O3 O-2 0.1323 0.1362 0.591 1 0.0 K1 K+1 0.0381 0.0252 0.2477 1 0.0 O5 O-2 0.0716 0.2037 0.763 1 0.0 O13 O-2 0.3294 0.1747 0.253 1 0.0 O6 O-2 0.1971 0.2063 0.726 1 0.0 Ge3 Ge+4 0.38607 0.02155 0.2721 1 0.0 O8 O-2 0.4327 -0.0177 0.235 1 0.0 K10 K+1 0.4597 0.2007 0.7369 1 0.0 K3 K+1 0.0579 0.2138 0.2651 1 0.0 O15 O-2 0.3427 0.2438 0.949 1 0.0