#------------------------------------------------------------------------------ #$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176429 $ #$URL: file:///home/coder/svn-repositories/cod/cif/2/10/60/2106067.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/. The original data for this entry # were provided by IUCr Journals, http://journals.iucr.org/. # # 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_2106067 loop_ _publ_author_name 'Taylor, J.C.' _publ_section_title ; The structure of the alpha form of uranyl hydroxide ; _journal_name_full 'Acta Crystallographica B (24,1968-38,1982)' _journal_page_first 1088 _journal_page_last 1091 _journal_volume 27 _journal_year 1971 _chemical_formula_sum 'H2 O4 U' _chemical_name_systematic '(U O2) (O H)2' _space_group_IT_number 64 _symmetry_space_group_name_Hall '-C 2ac 2' _symmetry_space_group_name_H-M 'C m c a' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 4.242 _cell_length_b 10.302 _cell_length_c 6.868 _cell_volume 300.139 _citation_journal_id_ASTM ACBCAR _cod_data_source_file Taylor_ACBCAR_1971_1937.cif _cod_data_source_block H2O4U1 _cod_original_cell_volume 300.1391 _cod_original_formula_sum 'H2 O4 U1' _cod_database_code 2106067 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x+1/2,-y,z+1/2 x,-y,-z -x+1/2,y,-z+1/2 -x,-y,-z x-1/2,y,-z-1/2 -x,y,z x-1/2,-y,z-1/2 x+1/2,y+1/2,z -x+1,-y+1/2,z+1/2 x+1/2,-y+1/2,-z -x+1,y+1/2,-z+1/2 -x+1/2,-y+1/2,-z x,y+1/2,-z-1/2 -x+1/2,y+1/2,z x,-y+1/2,z-1/2 loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_U_iso_or_equiv O2 O-2 0.5 -0.069 0.149 1 0.0 O1 O-2 0 0.155 0.089 1 0.0 U1 U+6 0 0 0 1 0.0