#------------------------------------------------------------------------------ #$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176429 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/53/67/1536742.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_1536742 loop_ _publ_author_name 'Klevtsova, R.F.' 'Klevtsov, P.V.' 'Glinskaya, L.A.' 'Ishchenko, V.N.' 'Perepelitsa, A.P.' _publ_section_title ; Double molybdates and tungstates of the composition Na3 M(+) (E O4)2 * 9(H2 O) (M= K, Rb; E= Mo, W): synthesis, structure, dehydratation. ; _journal_name_full Kristallografiya _journal_page_first 1094 _journal_page_last 1098 _journal_volume 35 _journal_year 1990 _chemical_formula_sum 'H18 K Na3 O17 W2' _chemical_name_systematic 'Na3 K (W O4)2 (H2 O)9' _space_group_IT_number 176 _symmetry_space_group_name_Hall '-P 6c' _symmetry_space_group_name_H-M 'P 63/m' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_formula_units_Z 2 _cell_length_a 9.515 _cell_length_b 9.515 _cell_length_c 12.231 _cell_volume 958.981 _citation_journal_id_ASTM KRISAJ _cod_data_source_file Klevtsova_KRISAJ_1990_1028.cif _cod_data_source_block H18K1Na3O17W2 _cod_original_cell_volume 958.9814 _cod_original_formula_sum 'H18 K1 Na3 O17 W2' _cod_database_code 1536742 loop_ _symmetry_equiv_pos_as_xyz x,y,z x-y,x,z+1/2 -y,x-y,z -x,-y,z+1/2 -x+y,-x,z y,-x+y,z+1/2 -x,-y,-z -x+y,-x,-z-1/2 y,-x+y,-z x,y,-z-1/2 x-y,x,-z -y,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 O1 O-2 0.3333 0.6667 0.617 1 0.0 O3 O-2 0.015 0.416 0.75 1 0.0 O2 O-2 0.283 0.371 0.428 1 0.0 Na1 Na+1 0.285 0.455 0.75 1 0.0 O4 O-2 0.255 0.027 0.383 1 0.0 K1 K+1 0 0 0.25 1 0.0 W1 W+6 0.3333 0.6667 0.4774 1 0.0