#------------------------------------------------------------------------------ #$Date: 2016-02-13 14:50:18 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176428 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/53/67/1536725.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_1536725 loop_ _publ_author_name 'Portemer, F.' 'Figlarz, M.' 'Kihlborg, L.' 'Sundberg, M.R.' _publ_section_title ; Homologues of Mo4 O11 (mon) in the Mo-W-O system prepared by soft chemistry ; _journal_name_full 'Journal of Solid State Chemistry' _journal_page_first 403 _journal_page_last 414 _journal_volume 103 _journal_year 1993 _chemical_formula_sum 'Mo6.48 O25 W2.52' _chemical_name_systematic '(Mo.72 W.28)9 O25' _space_group_IT_number 13 _symmetry_space_group_name_Hall '-P 2ya' _symmetry_space_group_name_H-M 'P 1 2/a 1' _cell_angle_alpha 90 _cell_angle_beta 32.64 _cell_angle_gamma 90 _cell_formula_units_Z 2 _cell_length_a 50.64 _cell_length_b 5.439 _cell_length_c 6.701 _cell_volume 995.475 _citation_journal_id_ASTM JSSCBI _cod_data_source_file Portemer_JSSCBI_1993_1121.cif _cod_data_source_block Mo6.48O25W2.52 _cod_original_cell_volume 995.4745 _cod_original_sg_symbol_Hall '-P 2yc (z,y,-x)' _cod_database_code 1536725 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x+1/2,y,-z -x,-y,-z x-1/2,-y,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 O9 O-2 0.1638 0.959 0.0429 1 0.0 W1 W+5 0.03887 0.21434 0.05447 0.28 0.0 O5 O-2 0.1149 0.5164 0.0603 1 0.0 Mo3 Mo+5 0.14659 0.22622 0.0173 0.72 0.0 W4 W+5 0.19854 0.72936 0.00888 0.28 0.0 W2 W+5 0.09139 0.73691 0.04705 0.28 0.0 O4 O-2 0.0787 0.2324 0.5874 1 0.0 O11 O-2 0.2236 0.9966 0.9924 1 0.0 Mo2 Mo+5 0.09139 0.73691 0.04705 0.72 0.0 O3 O-2 0.0466 0.9228 0.1148 1 0.0 W5 W+5 0.25 0.23 0 0.28 0.0 Mo4 Mo+5 0.19854 0.72936 0.00888 0.72 0.0 O12 O-2 0.2258 0.4966 0.0076 1 0.0 O8 O-2 0.1707 0.4501 0.0336 1 0.0 O7 O-2 0.1383 0.729 0.5696 1 0.0 W3 W+5 0.14659 0.22622 0.0173 0.28 0.0 O13 O-2 0.25 0.73 0.5 1 0.0 Mo1 Mo+5 0.03887 0.21434 0.05447 0.72 0.0 O2 O-2 0.0554 0.4412 0.1236 1 0.0 O6 O-2 0.1079 0.0121 0.0662 1 0.0 Mo5 Mo+5 0.25 0.23 0 0.72 0.0 O10 O-2 0.1964 0.2292 0.5212 1 0.0 O1 O-2 0.0226 0.7447 0.6305 1 0.0