#------------------------------------------------------------------------------ #$Date: 2009-11-18 16:56:34 +0200 (Wed, 18 Nov 2009) $ #$Revision: 858 $ #$URL: file:///home/coder/svn-repositories/cod/cif/9/9007846.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_9007846 loop_ _publ_author_name 'Kamenar B' 'Kaitner B' 'Strukan N' _publ_section_title ; Structure of potassium difluorooctamolybdate hexahydrate ; _journal_name_full 'Acta Crystallographica, Section C' _journal_page_first 2249 _journal_page_last 2251 _journal_volume 46 _journal_year 1990 _chemical_formula_sum 'F H6 K3 Mo4 O16' _[local]_cod_chemical_formula_sum_orig 'Mo4 F O16 K3 H6' _chemical_name_mineral K6[Mo8O26F2].6H2O _symmetry_space_group_name_H-M 'P -1' _cell_angle_alpha 107.16 _cell_angle_beta 95.77 _cell_angle_gamma 105.53 _cell_length_a 10.497 _cell_length_b 10.403 _cell_length_c 8.001 _cell_volume 788.896 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 Mo1 0.48951 0.47980 0.27535 0.12060 Mo2 0.17756 0.24346 0.14397 0.17990 Mo3 0.50144 0.79143 0.60542 0.17920 Mo4 0.20806 0.56085 0.40707 0.19820 F 0.26980 0.19190 -0.05660 0.03510 O1 0.55570 0.41150 0.09490 0.02040 O2 0.05020 0.25910 0.00530 0.02910 O3 0.11570 0.08160 0.16600 0.03230 O4 0.44080 0.86280 0.79160 0.03160 O5 0.60310 0.93530 0.56770 0.02920 O6 0.15470 0.60900 0.60410 0.03710 O7 0.09270 0.57410 0.24950 0.03350 O8 0.56870 0.66340 0.34410 0.02220 O9 0.15010 0.35800 0.36340 0.01920 O10 0.34270 0.73810 0.42660 0.02300 O11 0.37370 0.27870 0.28620 0.01660 O12 0.31130 0.46430 0.18540 0.01610 O13 0.40330 0.55980 0.54020 0.01840 K1 0.48910 0.14830 0.82560 0.03470 K2 0.86460 0.11580 0.66260 0.03830 K3 0.17050 0.50600 0.89900 0.03670 Wat1 0.75780 0.19260 0.99390 0.04930 Wat2 0.12980 0.22630 0.62540 0.06410 Wat3 0.85060 0.08820 0.31090 0.06580