#------------------------------------------------------------------------------ #$Date: 2015-10-10 07:45:41 +0300 (Sat, 10 Oct 2015) $ #$Revision: 165015 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/53/70/1537042.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_1537042 loop_ _publ_author_name 'Riou, A.' 'Gerault, Y.' 'Cudennec, Y.' _publ_section_title ; Etude structurale de gamma-Cd (O H)2 ou Cd2 O (O H)2 (H2 O) ; _journal_name_full 'Materials Research Bulletin' _journal_page_first 987 _journal_page_last 996 _journal_volume 25 _journal_year 1990 _chemical_formula_sum 'Cd2 H4 O4' _chemical_name_systematic 'Cd2 O (O H)2 (H2 O)' _space_group_IT_number 8 _symmetry_space_group_name_Hall 'I -2y' _symmetry_space_group_name_H-M 'I 1 m 1' _cell_angle_alpha 90 _cell_angle_beta 91.52 _cell_angle_gamma 90 _cell_formula_units_Z 2 _cell_length_a 5.664 _cell_length_b 10.223 _cell_length_c 3.404 _cell_volume 197.033 _citation_journal_id_ASTM MRBUAC _cod_data_source_file Riou_MRBUAC_1990_1794.cif _cod_data_source_block H4Cd2O4 _cod_cif_authors_sg_Hall 'C -2y (x,y,-x+z)' _cod_original_cell_volume 197.0327 _cod_chemical_formula_sum_orig 'H4 Cd2 O4' _cod_database_code 1537042 loop_ _symmetry_equiv_pos_as_xyz x,y,z x,-y,z x+1/2,y+1/2,z+1/2 x+1/2,-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 Cd1 Cd+2 0 0.15254 0 1 0.0 H3 H+1 0 0.332 0.5 1 0.0 H1 H+1 0 0.5 0.332 1 0.0 O1 O-2 0.115 0 0.489 1 0.0 O3 O-2 0.879 0.2796 0.495 1 0.0 H2 H+1 0.666 0 0.25 1 0.0 O2 O-2 0.687 0 0.942 1 0.0