#------------------------------------------------------------------------------ #$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176429 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/53/31/1533164.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_1533164 loop_ _publ_author_name 'Filaretov, A.A.' 'Danilov, V.P.' 'Olenev, A.V.' 'Gurkin, A.A.' 'Zhizhin, M.G.' 'Komissarova, L.N.' 'Lazoryak, B.I.' 'Bobylev, A.P.' _publ_section_title ; Hydrothermal synthesis, structures and properties of indium hydrogen phosphates M(I) In (H P O4)2 (M(I) = K, Rb and N H4) ; _journal_name_full 'Zhurnal Neorganicheskoi Khimii' _journal_page_first 1930 _journal_page_last 1946 _journal_volume 47 _journal_year 2002 _chemical_formula_sum 'H2 In K O8 P2' _chemical_name_systematic 'K In (H P O4)2' _space_group_IT_number 14 _symmetry_space_group_name_Hall '-P 2ybc' _symmetry_space_group_name_H-M 'P 1 21/c 1' _cell_angle_alpha 90 _cell_angle_beta 115.72 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 9.6232 _cell_length_b 8.2573 _cell_length_c 9.4571 _cell_volume 677.025 _citation_journal_id_ASTM ZNOKAQ _cod_data_source_file Filaretov_ZNOKAQ_2002_1165.cif _cod_data_source_block H2In1K1O8P2 _cod_original_cell_volume 677.0247 _cod_original_formula_sum 'H2 In1 K1 O8 P2' _cod_database_code 1533164 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x,y+1/2,-z+1/2 -x,-y,-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 O2 O-2 0.3585 0.0828 0.1214 1 0.0 O7 O-2 0.8952 0.1506 0.893 1 0.0 In1 In+3 0.74966 0.12461 0.01206 1 0.0 P1 P+5 0.5062 0.1815 0.1807 1 0.0 O3 O-2 0.557 0.2307 0.3521 1 0.0 K1 K+1 0.8298 0.8778 0.413 1 0.0 O4 O-2 0.4728 0.3406 0.0824 1 0.0 O8 O-2 0.8206 -0.0981 0.7215 1 0.0 O1 O-2 0.6361 0.0894 0.1682 1 0.0 O5 O-2 0.8583 0.1632 0.612 1 0.0 O6 O-2 0.0887 0.0176 0.8189 1 0.0 P2 P+5 0.917 0.0612 0.7627 1 0.0