#------------------------------------------------------------------------------ #$Date: 2016-02-13 19:28:24 +0000 (Sat, 13 Feb 2016) $ #$Revision: 176429 $ #$URL: svn://www.crystallography.net/cod/cif/1/53/27/1532785.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_1532785 loop_ _publ_author_name 'Obbade, S.' 'Yagoubi, S.' 'Dion, C.' 'Saadi, M.' 'Abraham, F.' _publ_section_title ; Two new lithium uranyl tungstates Li2 (U O2) (W O4)2 and Li2 (U O2)4 (W O4)4 O with framework based on the uranophane sheet anion topology ; _journal_name_full 'Journal of Solid State Chemistry' _journal_page_first 1681 _journal_page_last 1694 _journal_volume 177 _journal_year 2004 _chemical_formula_sum 'Li2 O10 U W2' _chemical_name_systematic 'Li2 (U O2) (W O4)2' _space_group_IT_number 60 _symmetry_space_group_name_Hall '-P 2n 2ab' _symmetry_space_group_name_H-M 'P b c n' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 7.9372 _cell_length_b 12.786 _cell_length_c 7.4249 _cell_volume 753.516 _citation_journal_id_ASTM JSSCBI _cod_data_source_file Obbade_JSSCBI_2004_1704.cif _cod_data_source_block Li2O10U1W2 _cod_original_cell_volume 753.5163 _cod_original_formula_sum 'Li2 O10 U1 W2' _cod_database_code 1532785 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x+1/2,-y+1/2,z+1/2 x+1/2,-y+1/2,-z -x,y,-z+1/2 -x,-y,-z x-1/2,y-1/2,-z-1/2 -x-1/2,y-1/2,z x,-y,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 0.0113 0.3914 0.0436 1 0.0 Li2 Li+1 0.832 0.496 -0.033 0.67 0.0 Li1 Li+1 0 0.491 0.75 0.67 0.0 O3 O-2 0 0.2675 0.75 1 0.0 O1 O-2 0.7723 0.0222 0.257 1 0.0 O6 O-2 0.005 0.0999 -0.0309 1 0.0 U1 U+6 0 0.02101 0.25 1 0.0 W1 W+6 0.03779 0.25671 5e-05 1 0.0 O4 O-2 0.2563 0.2505 0.0209 1 0.0 O2 O-2 0 0.2122 0.25 1 0.0