#------------------------------------------------------------------------------ #$Date: 2016-02-14 14:26:36 +0000 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: svn://www.crystallography.net/cod/cif/1/00/13/1001340.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_1001340 loop_ _publ_author_name 'Cousson, A' 'Abazli, H' 'Jove, J' 'Gasperin, M' _publ_section_title ; Synthese et etude structurale des composes Co Np~2~ F~10~ (H~2~ O)~8~ et Cu Np~2~ F~10~ (H~2~ O)~6~ ; _journal_coden_ASTM JCOMAH _journal_name_full 'Journal of the Less-Common Metals' _journal_page_first 155 _journal_page_last 168 _journal_paper_doi 10.1016/0022-5088(85)90115-8 _journal_volume 109 _journal_year 1985 _chemical_formula_structural 'Co Np2 F10 (H2 O)8' _chemical_formula_sum 'Co F10 H16 Np2 O8' _chemical_name_systematic 'Cobalt dineptunium decafluoride octahydrate' _space_group_IT_number 14 _symmetry_cell_setting monoclinic _symmetry_Int_Tables_number 14 _symmetry_space_group_name_Hall '-P 2yab' _symmetry_space_group_name_H-M 'P 1 21/a 1' _cell_angle_alpha 90 _cell_angle_beta 94.12 _cell_angle_gamma 90 _cell_formula_units_Z 2 _cell_length_a 8.803(2) _cell_length_b 7.040(2) _cell_length_c 11.066(3) _cell_volume 684.0 _refine_ls_R_factor_all 0.034 _cod_original_formula_sum 'H16 Co F10 Np2 O8' _cod_database_code 1001340 loop_ _symmetry_equiv_pos_as_xyz x,y,z 1/2-x,1/2+y,-z -x,-y,-z 1/2+x,1/2-y,z loop_ _atom_site_label _atom_site_type_symbol _atom_site_symmetry_multiplicity _atom_site_Wyckoff_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_attached_hydrogens _atom_site_calc_flag Np1 Np4+ 4 e 0.17715(2) 0.15392(3) 0.04555(2) 1. 0 d Co1 Co2+ 2 d 0. 0. 0.5 1. 0 d F1 F1- 4 e 0.4388(4) 0.2036(6) 0.0684(4) 1. 0 d F2 F1- 4 e 0.2147(4) 0.4709(6) 0.1013(4) 1. 0 d F3 F1- 4 e 0.0008(4) 0.9368(5) 0.1105(3) 1. 0 d F4 F1- 4 e 0.2922(5) 0.8596(5) 0.1117(4) 1. 0 d F5 F1- 4 e 0.2120(5) 0.1649(6) 0.2453(4) 1. 0 d O1 O2- 4 e 0.0354(6) 0.5657(8) 0.2858(5) 1. 2 d O2 O2- 4 e 0.3658(6) 0.4738(8) 0.3382(5) 1. 2 d O3 O2- 4 e 0.1660(6) 0.8827(8) 0.3934(5) 1. 2 d O4 O2- 4 e 0.0742(6) 0.2754(8) 0.4738(5) 1. 2 d loop_ _atom_type_symbol _atom_type_oxidation_number Np4+ 4.000 Co2+ 2.000 F1- -1.000 O2- -2.000 H1+ 1.000