#------------------------------------------------------------------------------ #$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176429 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/53/02/1530290.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_1530290 loop_ _publ_author_name 'Lii, K.-H.' 'Wang, S.-L.' _publ_section_title ; M2 V O P2 O7 (M = Rb, Cs): Two vanadyl pyrophosphates with a layer structure ; _journal_name_full 'Journal of Solid State Chemistry' _journal_page_first 239 _journal_page_last 246 _journal_volume 82 _journal_year 1989 _chemical_formula_sum 'O8 P2 Rb2 V' _chemical_name_systematic 'Rb2 (V O) (P2 O7)' _space_group_IT_number 19 _symmetry_space_group_name_Hall 'P 2ac 2ab' _symmetry_space_group_name_H-M 'P 21 21 21' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 7.101 _cell_length_b 9.174 _cell_length_c 12.801 _cell_volume 833.916 _citation_journal_id_ASTM JSSCBI _cod_data_source_file Lii_JSSCBI_1989_1874.cif _cod_data_source_block O8P2Rb2V1 _cod_original_cell_volume 833.9156 _cod_original_formula_sum 'O8 P2 Rb2 V1' _cod_database_code 1530290 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 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 O4 O-2 -0.054 -0.1649 -1.2883 1 0.0 P2 P+5 -0.0848 -0.0109 -0.8399 1 0.0 O3 O-2 -0.0513 -0.5569 -1.0415 1 0.0 P1 P+5 0.0095 -0.5252 -1.151 1 0.0 O8 O-2 -0.0286 0.0694 -0.9345 1 0.0 Rb1 Rb+1 -0.2268 -0.1753 -0.5947 1 0.0 O2 O-2 -0.1827 -0.1935 -1.0803 1 0.0 Rb2 Rb+1 -0.2697 -0.3918 -0.9056 1 0.0 O6 O-2 0.2004 -0.4289 -1.1489 1 0.0 O1 O-2 -0.1233 -0.4341 -1.2165 1 0.0 O5 O-2 0.0122 -0.1539 -0.8174 1 0.0 V1 V+4 -0.2481 -0.2424 -1.1943 1 0.0 O7 O-2 -0.0841 0.0798 -0.7402 1 0.0