#------------------------------------------------------------------------------ #$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $ #$Revision: 19 $ #$URL: file:///home/coder/svn-repositories/cod/cif/9/9004886.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_9004886 _chemical_name 'Mn[UO2AsO4]2(H2O)12' loop_ _publ_author_name 'Locock A J' 'Burns P C' 'Flynn M' _journal_name_full "The Canadian Mineralogist" _journal_volume 42 _journal_year 2004 _journal_page_first 1699 _journal_page_last 1718 _publ_section_title ; Divalent transition metals and magnesium in structures that contain the autunite-type sheet Sample: MnUAs12 ; _chemical_formula_sum 'Mn U2 As2 O24 H24' _cell_length_a 7.1359 _cell_length_b 7.1439 _cell_length_c 11.3616 _cell_angle_alpha 81.592 _cell_angle_beta 81.639 _cell_angle_gamma 88.918 _cell_volume 566.877 _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 Mn 0.50000 0.50000 0.50000 0.03000 U 0.23250 0.73010 0.07930 0.01300 As 0.74910 0.75450 0.00110 0.01300 O1 0.54750 0.69500 0.09350 0.02100 O2 0.91520 0.77650 0.08830 0.02000 O3 0.72730 0.95580 -0.09090 0.02100 O4 0.80840 0.58690 -0.08540 0.02100 O5 0.27230 0.76820 -0.07840 0.02400 O6 0.18890 0.68740 0.23800 0.02400 Wat1 -0.28840 0.70530 0.52580 0.04100 Wat2 0.30300 0.72500 0.45270 0.04500 Wat3 -0.03070 0.29010 0.30350 0.04000 Wat4 0.57650 -0.05760 0.68930 0.03900 Wat5 0.63130 0.50030 0.31610 0.04100 Wat6 -0.19880 0.94050 0.31350 0.04200