#------------------------------------------------------------------------------ #$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $ #$Revision: 14 $ #$URL: file:///home/coder/svn-repositories/cod/cif/9/9004620.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_9004620 _chemical_name 'Na6[(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 Na6 O21' _cell_length_a 7.637 _cell_length_b 8.164 _cell_length_c 8.746 _cell_angle_alpha 72.329 _cell_angle_beta 79.364 _cell_angle_gamma 65.795 _cell_volume 472.757 _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 0.21256 0.92437 0.31422 0.00630 Mo(1) 0.93720 0.41350 0.35573 0.00750 Mo(2) 0.44510 0.24740 0.01400 0.00960 Na(1) 0.45620 0.39980 0.34630 0.01820 Na(2) 0.26950 0.09530 0.65550 0.01930 Na(3) -0.05510 0.24650 -0.01160 0.02100 O(1) 0.39300 0.93600 0.41890 0.01700 O(2) 0.04300 0.90800 0.20280 0.01400 O(3) 0.54900 0.29740 -0.18910 0.01200 O(4) 0.85500 0.63690 0.22860 0.01400 O(5) 0.32400 0.08300 0.06850 0.01500 O(6) 0.15000 0.35800 0.44480 0.01900 O(7) 0.74500 0.36700 0.49560 0.01100 O(8) 0.00400 0.26100 0.23160 0.01500 O(9) 0.28200 0.45400 0.05140 0.02200 O(10) 0.62100 0.17900 0.14700 0.02200 O(11) 0.00000 0.00000 0.50000 0.05100