#------------------------------------------------------------------------------ #$Date: 2015-10-05 11:50:16 +0300 (Mon, 05 Oct 2015) $ #$Revision: 159684 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/53/34/1533440.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_1533440 loop_ _publ_author_name 'Alonso, J.A.' 'Rivillas, F.' 'Pomjakushin, V.' 'Martinez-Lope, M.J.' _publ_section_title ; Preparation and structural study from neutron diffraction data of R2 Mo O6 ( R= Dy, Ho, Er, Tm, Yb, Y ) ; _journal_name_full 'Journal of Solid State Chemistry' _journal_page_first 2470 _journal_page_last 2476 _journal_volume 177 _journal_year 2004 _chemical_formula_sum 'Mo O6 Yb2' _chemical_name_systematic 'Yb2 (Mo O6)' _space_group_IT_number 15 _symmetry_space_group_name_Hall '-C 2yc' _symmetry_space_group_name_H-M 'C 1 2/c 1' _cell_angle_alpha 90 _cell_angle_beta 108.649 _cell_angle_gamma 90 _cell_formula_units_Z 8 _cell_length_a 16.2437 _cell_length_b 10.8992 _cell_length_c 5.2907 _cell_volume 887.503 _citation_journal_id_ASTM JSSCBI _cod_data_source_file Alonso_JSSCBI_2004_1781.cif _cod_data_source_block Mo1O6Yb2 _cod_original_cell_volume 887.5029 _cod_chemical_formula_sum_orig 'Mo1 O6 Yb2' _cod_database_code 1533440 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x,y,-z+1/2 -x,-y,-z x,-y,z-1/2 x+1/2,y+1/2,z -x+1/2,y+1/2,-z+1/2 -x+1/2,-y+1/2,-z 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 O1 O-2 0.2361 0.0491 0.3665 1 0.0 O5 O-2 0.0703 0.2651 0.5825 1 0.0 Yb3 Yb+3 0.3332 0.1167 0.1209 1 0.0 O4 O-2 0.106 0.2206 0.1287 1 0.0 O3 O-2 0.2276 0.2043 0.7453 1 0.0 Yb1 Yb+3 0 0.3933 0.25 1 0.0 Yb2 Yb+3 0 0.8631 0.25 1 0.0 O2 O-2 0.0789 0.0318 0.4879 1 0.0 O6 O-2 0.5918 0.0192 0.5797 1 0.0 Mo1 Mo+6 0.1552 0.1401 0.4398 1 0.0