#------------------------------------------------------------------------------ #$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $ #$Revision: 14 $ #$URL: file:///home/coder/svn-repositories/cod/cif/9/9004673.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_9004673 _chemical_name 'Cs6[(UO2)(MoO4)4]' loop_ _publ_author_name 'Krivovichev S V' 'Burns P C' _journal_name_full "The Canadian Mineralogist" _journal_volume 40 _journal_year 2002 _journal_page_first 201 _journal_page_last 209 _publ_section_title ; Crystal chemistry of uranyl molybdates. VI. New uranyl molybdate units in the structures of Cs4[(UO2)3O(MoO4)2(MoO5)] and Cs6[(UO2)(MoO4)4] ; _chemical_formula_sum 'U Mo4 Cs6 O18' _cell_length_a 11.613 _cell_length_b 12.545 _cell_length_c 14.466 _cell_angle_alpha 102.713 _cell_angle_beta 95.281 _cell_angle_gamma 106.182 _cell_volume 1947.729 _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(1) 0.49766 0.75078 0.49960 0.01910 U(2) 0.00000 0.00000 0.00000 0.01990 Mo(1) 0.80260 0.19340 -0.02500 0.02160 Mo(2) 0.80050 0.68840 -0.02650 0.02220 Mo(3) 0.59750 0.21770 0.24680 0.02550 Mo(4) 0.16050 0.66230 0.42130 0.02720 Mo(5) 0.58030 0.71580 0.24400 0.02720 Mo(6) 0.16920 0.17660 0.43940 0.02620 Cs(1) 0.62409 0.91593 0.05655 0.02700 Cs(2) 0.37111 0.58264 -0.06254 0.02720 Cs(3) 0.62299 0.07383 -0.29694 0.03460 Cs(4) 0.62220 0.58160 -0.29980 0.03470 Cs(5) 0.96117 0.26020 0.25343 0.03590 Cs(6) 0.96309 0.83270 0.25071 0.03980 Cs(7) 0.22546 0.96973 0.58646 0.03490 Cs(8) 0.21370 0.47257 0.59664 0.03840 Cs(9) 0.06960 0.55393 0.13668 0.04000 O(1) 0.06190 0.04540 0.12910 0.02000 O(2) 0.87020 0.10410 0.03380 0.03200 O(3) 0.44180 0.87270 0.52000 0.03800 O(4) 0.30720 0.13300 0.42650 0.03800 O(5) 0.85780 0.61330 0.04410 0.04100 O(6) 0.30460 0.63240 0.42390 0.04000 O(7) 0.86380 0.84230 0.02330 0.02800 O(8) 0.55230 0.62970 0.47990 0.03700 O(9) 0.86200 0.33810 0.03890 0.03100 O(10) 0.83950 0.65040 -0.13990 0.03800 O(11) 0.54270 0.78110 0.35940 0.03600 O(12) 0.17840 0.30040 0.40060 0.03200 O(13) 0.54980 0.27830 0.35690 0.03800 O(14) 0.61800 0.59400 0.24500 0.06000 O(15) 0.64900 0.14510 -0.02980 0.04100 O(16) 0.64750 0.64800 -0.03200 0.04800 O(17) 0.83940 0.18830 -0.13980 0.03800 O(18) 0.14610 0.20300 0.55970 0.04300 O(19) 0.04060 0.07000 0.36900 0.05300 O(20) 0.70200 0.81500 0.21840 0.04800 O(21) 0.16730 0.77800 0.37350 0.04500 O(22) 0.48000 0.19200 0.15570 0.06500 O(23) 0.45500 0.68600 0.15400 0.07900 O(24) 0.72500 0.32220 0.22850 0.04000 O(25) 0.63900 0.09500 0.24920 0.06200 O(26) 0.12400 0.69050 0.53560 0.04100 O(27) 0.04700 0.54420 0.34200 0.05400