#------------------------------------------------------------------------------ #$Date: 2015-07-13 02:19:37 +0300 (Mon, 13 Jul 2015) $ #$Revision: 148550 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/52/71/1527172.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_1527172 loop_ _publ_author_name 'Borisov, S.V.' 'Klevtsova, R.F.' _publ_section_title ; The crystal structure of Pr2 W2 O9 ; _journal_name_full Kristallografiya _journal_page_first 38 _journal_page_last 42 _journal_volume 15 _journal_year 1970 _chemical_formula_sum 'O9 Pr2 W2' _chemical_name_systematic 'Pr2 (W2 O9)' _space_group_IT_number 14 _symmetry_space_group_name_Hall '-P 2ybc' _symmetry_space_group_name_H-M 'P 1 21/c 1' _cell_angle_alpha 90 _cell_angle_beta 106.5 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 7.7 _cell_length_b 9.84 _cell_length_c 9.27 _cell_volume 673.446 _citation_journal_id_ASTM KRISAJ _cod_data_source_file Borisov_KRISAJ_1970_1881.cif _cod_data_source_block O9Pr2W2 _cod_original_cell_volume 673.4456 _cod_database_code 1527172 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x,y+1/2,-z+1/2 -x,-y,-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 Pr2 Pr+3 0.2299 0.5522 0.1537 1 0.0 O6 O-2 0.24 0.123 0.424 1 0.0 O4 O-2 0.556 0.397 0.605 1 0.0 O9 O-2 -0.078 0.28 0.341 1 0.0 Pr1 Pr+3 0.2792 0.9555 0.0757 1 0.0 O5 O-2 0.275 0.364 0.366 1 0.0 O7 O-2 0.988 0.378 0.089 1 0.0 O2 O-2 0.529 0.39 0.171 1 0.0 O3 O-2 0.586 0.212 0.421 1 0.0 W2 W+6 0.0715 0.2505 0.2368 1 0.0 O8 O-2 -0.022 0.074 0.164 1 0.0 O1 O-2 0.257 0.183 0.142 1 0.0 W1 W+6 0.4271 0.2729 0.0337 1 0.0