#------------------------------------------------------------------------------ #$Date: 2015-10-01 15:28:27 +0300 (Thu, 01 Oct 2015) $ #$Revision: 159273 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/53/31/1533166.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_1533166 loop_ _publ_author_name 'Filaretov, A.A.' 'Zhizhin, M.G.' 'Lazoryak, B.I.' 'Gurkin, A.A.' 'Olenev, A.V.' 'Danilov, V.P.' 'Bobylev, A.P.' 'Komissarova, L.N.' _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 O8 P2 Rb' _chemical_name_systematic 'Rb 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 116.6 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 9.705 _cell_length_b 8.367 _cell_length_c 9.528 _cell_volume 691.798 _citation_journal_id_ASTM ZNOKAQ _cod_data_source_file Filaretov_ZNOKAQ_2002_1167.cif _cod_data_source_block H2In1O8P2Rb1 _cod_original_cell_volume 691.7983 _cod_chemical_formula_sum_orig 'H2 In1 O8 P2 Rb1' _cod_database_code 1533166 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 O5 O-2 0.8581 0.1592 0.6162 1 0.0 O6 O-2 0.0814 0.0252 0.823 1 0.0 Rb1 Rb+1 0.8323 0.8734 0.4152 1 0.0 O3 O-2 0.5633 0.2284 0.3503 1 0.0 O2 O-2 0.3641 0.0843 0.1249 1 0.0 O1 O-2 0.6358 0.0884 0.1557 1 0.0 O4 O-2 0.4799 0.1615 0.5858 1 0.0 O7 O-2 0.8849 0.1554 0.8925 1 0.0 P1 P+5 0.5142 0.1774 0.1801 1 0.0 In1 In+3 0.74661 0.1232 0.01068 1 0.0 P2 P+5 0.915 0.0698 0.7686 1 0.0 O8 O-2 0.1786 0.0925 0.2723 1 0.0