#------------------------------------------------------------------------------ #$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $ #$Revision: 14 $ #$URL: file:///home/coder/svn-repositories/cod/cif/9/9004622.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_9004622 _chemical_name 'K6[(UO2)2O(MoO4)4]' loop_ _publ_author_name 'Krivovichev S V' 'Burns P C' _journal_name_full "The Canadian Mineralogist" _journal_volume 39 _journal_year 2001 _journal_page_first 197 _journal_page_last 206 _publ_section_title ; Crystal chemistry of uranyl molybdates. III. New structural themes in Na6[(UO2)2O(MoO4)4], Na6[(UO2)(MoO4)4] and K6[(UO2)2O(MoO4)4] ; _chemical_formula_sum 'U2 Mo4 K6 O21' _cell_length_a 7.8282 _cell_length_b 7.8298 _cell_length_c 10.302 _cell_angle_alpha 83.893 _cell_angle_beta 73.131 _cell_angle_gamma 80.338 _cell_volume 594.586 _symmetry_space_group_name_H-M 'P -1' loop_ _symmetry_equiv_pos_as_xyz 'x,y,z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_Uiso_or_equiv U 0.21675 0.48425 0.31435 0.01960 Mo(1) 0.36490 0.74360 -0.03400 0.01810 Mo(2) -0.15100 0.84560 0.39380 0.02380 K(1) 0.83810 0.70600 0.02940 0.03400 K(2) 0.27350 0.60260 -0.34210 0.03080 K(3) 0.60720 0.06780 -0.27780 0.03180 O(1) 0.06900 0.44700 0.21800 0.03100 O(2) 0.37300 0.53500 0.39800 0.03400 O(3) 0.40500 0.64500 0.12000 0.02400 O(4) -0.27200 0.75500 0.30700 0.03600 O(5) -0.22500 0.79700 0.57300 0.03600 O(6) 0.56400 0.71800 -0.16800 0.03700 O(7) 0.08400 0.78200 0.31880 0.02700 O(8) 0.20000 0.65300 -0.07200 0.03500 O(9) 0.30000 0.96200 -0.01300 0.03800 O(10) -0.20200 0.06600 0.37400 0.04900 O(11) 0.00000 0.50000 0.50000 0.06000