#------------------------------------------------------------------------------ #$Date: 2009-11-18 16:56:34 +0200 (Wed, 18 Nov 2009) $ #$Revision: 858 $ #$URL: file:///home/coder/svn-repositories/cod/cif/9/9004895.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_9004895 loop_ _publ_author_name 'Locock A J' 'Burns P C' 'Flynn M' _publ_section_title ; Divalent transition metals and magnesium in structures that contain the autunite-type sheet Sample: MnUAs8 ; _journal_name_full 'The Canadian Mineralogist' _journal_page_first 1699 _journal_page_last 1718 _journal_volume 42 _journal_year 2004 _chemical_formula_sum 'As2 H16 Mn O20 U2' _[local]_cod_chemical_formula_sum_orig 'Mn U2 As2 O20 H16' _chemical_name_mineral Mn[UO2AsO4]2(H2O)8 _symmetry_space_group_name_H-M 'P -1' _cell_angle_alpha 75.012 _cell_angle_beta 84.136 _cell_angle_gamma 81.995 _cell_length_a 7.2244 _cell_length_b 9.9170 _cell_length_c 13.337 _cell_volume 911.832 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_U_iso_or_equiv Mn 0.32280 0.36060 0.25940 0.02100 U1 0.23470 0.69230 0.40090 0.01000 U2 0.22820 0.20010 -0.09140 0.01100 As1 0.25190 0.87200 0.12020 0.01100 As2 0.24650 0.37760 -0.37240 0.01200 O1 0.26180 0.04450 0.06690 0.02000 O2 0.19770 0.83370 0.46310 0.01800 O3 0.19030 0.33840 -0.02630 0.01900 O4 0.08760 0.81210 0.06850 0.01900 O5 0.45860 0.77720 0.09930 0.02100 O6 0.45460 0.28280 -0.38840 0.02100 O7 0.08230 0.31330 -0.42120 0.01900 O8 0.25890 0.54720 -0.43670 0.02100 O9 0.19920 0.85500 0.24850 0.02100 O10 0.27100 0.54630 0.33880 0.02200 O11 0.26810 0.06290 -0.15790 0.02300 O12 0.19220 0.37100 -0.24550 0.01900 Wat1 0.41330 0.17810 0.19570 0.03500 Wat2 0.57450 0.29110 0.34050 0.04100 Wat3 0.17270 0.22790 0.38840 0.04200 Wat4 0.07030 0.43170 0.17950 0.04500 Wat5 0.47820 0.48470 0.13000 0.04500 Wat6 0.95780 0.09060 0.29780 0.04300 Wat7 0.78270 0.27860 0.11530 0.05500 Wat8 0.37580 0.00680 0.59370 0.07900