#------------------------------------------------------------------------------ #$Date: 2014-07-12 11:06:43 +0300 (Sat, 12 Jul 2014) $ #$Revision: 120115 $ #$URL: file:///home/coder/svn-repositories/cod/cif/9/01/45/9014550.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_9014550 loop_ _publ_author_name 'Battle, P.' 'Gibb, T.' 'Jones, C.' 'Studer, F.' _publ_section_title ; Spin-Glass Behavior in Sr2 Fe Ru O6 and Ba La Ni Ru O6: A Comparison with Antiferromagnetic Ba La Zn Ru O6 _cod_database_code 1001397 ; _journal_name_full 'Journal of Solid State Chemistry' _journal_page_first 281 _journal_page_last 293 _journal_volume 78 _journal_year 1989 _chemical_formula_sum 'Ba0.5 La0.5 O3 Ru0.5 Zn0.5' _space_group_IT_number 15 _symmetry_space_group_name_Hall '-I 2yc' _symmetry_space_group_name_H-M 'I 1 2/c 1' _cell_angle_alpha 90 _cell_angle_beta 90.10 _cell_angle_gamma 90 _cell_length_a 5.6479 _cell_length_b 5.6672 _cell_length_c 7.9859 _cell_volume 255.611 _database_code_amcsd 0013638 _exptl_crystal_density_diffrn 6.999 _[local]_cod_chemical_formula_sum_orig '(Ba.5 La.5) (Zn.5 Ru.5) O3' _cod_database_code 9014550 _amcsd_formula_title 'Ba La O6 Ru Zn' loop_ _space_group_symop_operation_xyz x,y,z 1/2+x,1/2+y,1/2+z x,-y,1/2+z 1/2+x,1/2-y,+z -x,y,1/2-z 1/2-x,1/2+y,-z -x,-y,-z 1/2-x,1/2-y,1/2-z loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba1 0.00000 0.49900 0.25000 0.50000 La1 0.00000 0.49900 0.25000 0.50000 Zn1 0.00000 0.00000 0.00000 0.50000 Ru1 0.00000 0.00000 0.00000 0.50000 O1 0.00000 0.04300 0.25000 1.00000 O2 0.26000 0.75200 0.01900 1.00000 _journal_paper_doi 10.1016/0022-4596(89)90109-6