#------------------------------------------------------------------------------ #$Date: 2013-05-09 16:53:25 +0300 (Thu, 09 May 2013) $ #$Revision: 86000 $ #$URL: file:///home/coder/svn-repositories/cod/cif/9/01/67/9016711.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/. The original data for this entry # were provided the American Mineralogist Crystal Structure Database, # http://rruff.geo.arizona.edu/AMS/amcsd.php # # 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_9016711 loop_ _publ_author_name 'Rouillon, T.' 'Hervieu, M.' 'Domenges, B.' 'Raveau, B.' _publ_section_title ; Structural study of the oxide Pb2Sr2PrCeCu3O10, intergrowth of 0201- and 0222-type structures _cod_database_code 1001528 ; _journal_name_full 'Journal of Solid State Chemistry' _journal_page_first 63 _journal_page_last 74 _journal_volume 103 _journal_year 1993 _chemical_formula_sum 'Ce Cu3 O10.056 Pb2 Pr Sr2' _space_group_IT_number 69 _symmetry_space_group_name_Hall '-F 2 2' _symmetry_space_group_name_H-M 'F m m m' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_length_a 5.4512 _cell_length_b 5.4799 _cell_length_c 37.0107 _cell_volume 1105.585 _database_code_amcsd 0013765 _exptl_crystal_density_diffrn 7.343 _[local]_cod_chemical_formula_sum_orig 'Cu3 Pb2 Sr2 (Pr Ce) O10.056' _cod_database_code 9016711 _amcsd_formula_title 'Ce Cu3.01 O10.056 Pb2.02 Pr Sr2.02' loop_ _space_group_symop_operation_xyz x,y,z x,1/2+y,1/2+z 1/2+x,y,1/2+z 1/2+x,1/2+y,z x,-y,z x,1/2-y,1/2+z 1/2+x,-y,1/2+z 1/2+x,1/2-y,z -x,y,-z -x,1/2+y,1/2-z 1/2-x,y,1/2-z 1/2-x,1/2+y,-z -x,y,z -x,1/2+y,1/2+z 1/2-x,y,1/2+z 1/2-x,1/2+y,z x,-y,-z x,1/2-y,1/2-z 1/2+x,-y,1/2-z 1/2+x,1/2-y,-z x,y,-z x,1/2+y,1/2-z 1/2+x,y,1/2-z 1/2+x,1/2+y,-z -x,-y,z -x,1/2-y,1/2+z 1/2-x,-y,1/2+z 1/2-x,1/2-y,z -x,-y,-z -x,1/2-y,1/2-z 1/2-x,-y,1/2-z 1/2-x,1/2-y,-z loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cu1 0.00000 0.00000 0.00000 1.01000 Pb1 0.50000 0.00000 0.04750 1.01000 Sr1 0.00000 0.00000 0.11840 1.01000 Cu2 0.50000 0.00000 0.16650 1.00000 Pr1 0.00000 0.00000 0.21460 0.50000 Ce1 0.00000 0.00000 0.21460 0.50000 O1 0.25000 0.25000 0.00000 0.02000 O2 0.06080 0.06930 0.04910 0.25200 O3 0.50000 0.00000 0.10500 1.00000 O4 0.25000 0.25000 0.17170 1.00000 O5 0.25000 0.25000 0.25000 1.00000