#------------------------------------------------------------------------------ #$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176429 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/52/17/1521748.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_1521748 loop_ _publ_author_name 'Pertierra, P.' 'Salvado, M.A.' 'Garcia-Granda, S.' 'Clearfield, A.' 'Trabajo, C.' 'Bortun, A.I.' 'Garcia, J.R.' _publ_section_title ; Synthesis, characterization and X-ray powder structure of K2 Zr Ge2 O7 ; _journal_name_full 'Journal of Solid State Chemistry' _journal_page_first 41 _journal_page_last 49 _journal_volume 148 _journal_year 1999 _chemical_formula_sum 'Ge2 K2 O7 Zr' _chemical_name_systematic 'K2 Zr (Ge2 O7)' _space_group_IT_number 15 _symmetry_space_group_name_Hall '-C 2yc' _symmetry_space_group_name_H-M 'C 1 2/c 1' _cell_angle_alpha 90 _cell_angle_beta 105.169 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 9.9619 _cell_length_b 5.5578 _cell_length_c 12.9555 _cell_volume 692.305 _citation_journal_id_ASTM JSSCBI _cod_data_source_file Pertierra_JSSCBI_1999_409.cif _cod_data_source_block Ge2K2O7Zr1 _cod_original_cell_volume 692.3054 _cod_original_formula_sum 'Ge2 K2 O7 Zr1' _cod_database_code 1521748 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x,y,-z+1/2 -x,-y,-z x,-y,z-1/2 x+1/2,y+1/2,z -x+1/2,y+1/2,-z+1/2 -x+1/2,-y+1/2,-z x+1/2,-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 Zr1 Zr+4 0.25 0.75 0 1 0.0 O4 O-2 0 0.858 0.25 1 0.0 O3 O-2 0.8809 0.447 0.1264 1 0.0 O1 O-2 0.1275 0.664 0.1028 1 0.0 Ge1 Ge+4 -0.036 0.7193 0.1218 1 0.0 O2 O-2 0.8709 0.95 0.0436 1 0.0 K1 K+1 0.1502 0.211 0.1802 1 0.0