#------------------------------------------------------------------------------ #$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176429 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/53/02/1530238.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_1530238 loop_ _publ_author_name 'Lachgar, A.' 'Deniard-Courant, S.' 'Piffard, Y.' _publ_section_title ; Preparation and crystal structure of K2 Sb P O6 ; _journal_name_full 'Journal of Solid State Chemistry' _journal_page_first 409 _journal_page_last 413 _journal_volume 63 _journal_year 1986 _chemical_formula_sum 'K2 O6 P Sb' _chemical_name_systematic 'K2 (Sb P O6)' _space_group_IT_number 62 _symmetry_space_group_name_Hall '-P 2ac 2n' _symmetry_space_group_name_H-M 'P n m a' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 9.429 _cell_length_b 5.891 _cell_length_c 11.03 _cell_volume 612.675 _citation_journal_id_ASTM JSSCBI _cod_data_source_file Lachgar_JSSCBI_1986_1160.cif _cod_data_source_block K2O6P1Sb1 _cod_original_formula_sum 'K2 O6 P1 Sb1' _cod_database_code 1530238 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x+1/2,-y,z+1/2 x+1/2,-y+1/2,-z+1/2 -x,y+1/2,-z -x,-y,-z x-1/2,y,-z-1/2 -x-1/2,y-1/2,z-1/2 x,-y-1/2,z 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 O3 O-2 0.929 0.25 0.426 1 0.0 O2 O-2 0.501 0.25 0.6167 1 0.0 K1 K+1 0.1724 0.25 0.306 1 0.0 O5 O-2 0.2893 0.538 0.527 1 0.0 Sb1 Sb+5 0 0 0 1 0.0 O1 O-2 0.467 0.25 0.3817 1 0.0 O4 O-2 0.83 0.25 0.644 1 0.0 P1 P+5 0.8038 0.25 0.5094 1 0.0 K2 K+1 0.1192 0.25 0.6606 1 0.0