#------------------------------------------------------------------------------ #$Date: 2016-02-13 14:50:18 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176428 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/54/21/1542180.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_1542180 loop_ _publ_author_name 'Chichagov, A.V.' 'Dem'yanets, L.N.' 'Ilyukhin, V.V.' 'Belov, N.V.' _publ_section_title ; Synthesis and crystal structure of cadmium molybdate (Cd Mo O4) ; _journal_name_full Kristallografiya _journal_page_first 686 _journal_page_last 689 _journal_volume 11 _journal_year 1966 _chemical_formula_sum 'Cd Mo O4' _chemical_name_systematic 'Cd (Mo O4)' _space_group_IT_number 88 _symmetry_space_group_name_Hall 'I 4bw -1bw' _symmetry_space_group_name_H-M 'I 41/a :1' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 5.17 _cell_length_b 5.17 _cell_length_c 11.19 _cell_volume 299.096 _citation_journal_id_ASTM KRISAJ _cod_data_source_file Chichagov_KRISAJ_1966_1687.cif _cod_data_source_block Cd1Mo1O4 _cod_original_cell_volume 299.0964 _cod_original_sg_symbol_Hall '-I 4ad (x,y+1/4,z+1/8)' _cod_chemical_formula_sum_orig 'Cd1 Mo1 O4' _cod_database_code 1542180 loop_ _symmetry_equiv_pos_as_xyz x,y,z -y,x+1/2,z+1/4 -x+1/2,-y+1/2,z+1/2 y+1/2,-x,z+3/4 -x,-y+1/2,-z+1/4 y,-x,-z x-1/2,y,-z-1/4 -y-1/2,x+1/2,-z-1/2 x+1/2,y+1/2,z+1/2 -y+1/2,x+1,z+3/4 -x+1,-y+1,z+1 y+1,-x+1/2,z+5/4 -x+1/2,-y+1,-z+3/4 y+1/2,-x+1/2,-z+1/2 x,y+1/2,-z+1/4 -y,x+1,-z 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 O1 O-2 0.25 0.14 0.095 1 0.0 Cd1 Cd+2 0.5 0.5 0 1 0.0 Mo1 Mo+6 0 0 0 1 0.0