#------------------------------------------------------------------------------ #$Date: 2013-05-09 16:53:25 +0300 (Thu, 09 May 2013) $ #$Revision: 86000 $ #$URL: file:///home/coder/svn-repositories/cod/cif/9/01/43/9014321.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/. The original data for this entry # were provided the American Mineralogist Crystal Structure Database, # http://rruff.geo.arizona.edu/AMS/amcsd.php # # The file may be used within the scientific community so long as # proper attribution is given to the journal article from which the # data were obtained. # data_9014321 loop_ _publ_author_name 'Cousson, A.' 'Abazli, H.' 'Pages, M.' 'Gasperin, M.' _publ_section_title ; Tetrafluorure de Neptunium Hydrate, Np3 F12 1. 1H H2 O _cod_database_code 1001844 ; _journal_name_full 'Acta Crystallographica, Section C' _journal_page_first 425 _journal_page_last 427 _journal_volume 39 _journal_year 1983 _chemical_formula_sum 'F12 Np3 O' _space_group_IT_number 1 _symmetry_space_group_name_Hall 'P 1' _symmetry_space_group_name_H-M 'P 1' _cell_angle_alpha 113.83 _cell_angle_beta 116.64 _cell_angle_gamma 58.03 _cell_length_a 8.455 _cell_length_b 8.858 _cell_length_c 8.396 _cell_volume 465.156 _database_code_amcsd 0009974 _exptl_crystal_density_diffrn 6.818 _[local]_cod_chemical_formula_sum_orig 'Np3 F12 O' _cod_database_code 9014321 _amcsd_formula_title 'F12 H2 Np3 O' loop_ _space_group_symop_operation_xyz x,y,z loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Np1 0.15000 0.18500 0.68500 Np2 0.94400 0.22980 0.10700 Np3 0.40160 0.38030 0.22420 Np4 0.84750 0.81350 0.31340 Np5 0.05740 0.72430 0.88020 Np6 0.56700 0.60700 0.72990 F1 0.17800 0.93200 0.08600 F2 0.93600 0.85200 0.12900 F3 0.16600 0.62700 0.35400 F4 0.06500 0.18300 0.39500 F5 0.53800 0.57900 0.44300 F6 0.98500 0.00400 0.50800 F7 0.69600 0.29400 0.19100 F8 0.23200 0.25100 0.22400 F9 0.83000 0.03700 0.88900 F10 0.06000 0.15900 0.88400 F11 0.83600 0.38300 0.65100 F12 0.91100 0.79400 0.59700 F13 0.48100 0.38100 0.53800 F14 0.29700 0.69000 0.79700 F15 0.77700 0.70600 0.76000 F16 0.34200 0.57300 0.07400 F17 0.70300 0.40100 0.90300 F18 0.60900 0.10300 0.29200 F19 0.35700 0.89000 0.67900 F20 0.65700 0.75100 0.02300 F21 0.37900 0.20000 0.95400 F22 0.89000 0.52300 0.25000 F23 0.12700 0.45000 0.70300 F24 0.07300 0.47900 0.97900 O1 0.56300 0.82700 0.34100 O2 0.45200 0.12500 0.63400