#------------------------------------------------------------------------------ #$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $ #$Revision: 176729 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/00/13/1001381.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_1001381 loop_ _publ_author_name 'Jove, J' 'Cousson, A' 'Gasperin, M' _publ_section_title ; Synthesis and crystal structure of K~2~ U~2~ O~7~ and Moessbauer (^237^Np) studies of K~2~ Np~2~ O~7~ and Ca Np O~4~ ; _journal_coden_ASTM JCOMAH _journal_name_full 'Journal of the Less-Common Metals' _journal_page_first 345 _journal_page_last 350 _journal_paper_doi 10.1016/0022-5088(88)90016-1 _journal_volume 139 _journal_year 1988 _chemical_formula_structural 'K U O3.5' _chemical_formula_sum 'K O3.5 U' _chemical_name_systematic 'Potassium uranium(VI) oxide (1/1/3.5)' _space_group_IT_number 166 _symmetry_cell_setting trigonal _symmetry_space_group_name_Hall '-R 3 2"' _symmetry_space_group_name_H-M 'R -3 m :H' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_formula_units_Z 3 _cell_length_a 3.96(2) _cell_length_b 3.96(2) _cell_length_c 19.82(4) _cell_volume 269.2 _exptl_crystal_density_meas 6.14 _refine_ls_R_factor_all 0.0445 _cod_original_sg_symbol_H-M 'R -3 m H' _cod_database_code 1001381 loop_ _symmetry_equiv_pos_as_xyz x,y,z -y,x-y,z y-x,-x,z -y,-x,z x,x-y,z y-x,y,z -x,-y,-z y,y-x,-z x-y,x,-z y,x,-z -x,y-x,-z x-y,-y,-z 1/3+x,2/3+y,2/3+z 2/3+x,1/3+y,1/3+z 1/3-y,2/3+x-y,2/3+z 2/3-y,1/3+x-y,1/3+z 1/3-x+y,2/3-x,2/3+z 2/3-x+y,1/3-x,1/3+z 1/3-y,2/3-x,2/3+z 2/3-y,1/3-x,1/3+z 1/3+x,2/3+x-y,2/3+z 2/3+x,1/3+x-y,1/3+z 1/3-x+y,2/3+y,2/3+z 2/3-x+y,1/3+y,1/3+z 1/3-x,2/3-y,2/3-z 2/3-x,1/3-y,1/3-z 1/3+y,2/3-x+y,2/3-z 2/3+y,1/3-x+y,1/3-z 1/3+x-y,2/3+x,2/3-z 2/3+x-y,1/3+x,1/3-z 1/3+y,2/3+x,2/3-z 2/3+y,1/3+x,1/3-z 1/3-x,2/3-x+y,2/3-z 2/3-x,1/3-x+y,1/3-z 1/3+x-y,2/3-y,2/3-z 2/3+x-y,1/3-y,1/3-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 U1 U6+ 18 f 0.0443(3) 0. 0. 0.167 0 d K1 K1+ 3 b 0. 0. 0.5 1. 0 d O1 O2- 6 c 0. 0. 0.0936(8) 1. 0 d O2 O2- 36 i 0.0412(118) -0.0640(171) 0.3429(20) 0.125 0 d loop_ _atom_type_symbol _atom_type_oxidation_number U6+ 6.000 K1+ 1.000 O2- -2.000