#------------------------------------------------------------------------------ #$Date: 2015-10-09 14:53:03 +0300 (Fri, 09 Oct 2015) $ #$Revision: 161867 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/53/48/1534834.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_1534834 loop_ _publ_author_name 'Gutau, W.' 'Mueller-Buschbaum, H.' _publ_section_title ; Zum Existenzbereich des Ba8 Pt4 Y3 O17.5-Typs. Ein Beitag ueber Ba8 Pt4 Sc3 O17.5 und Ba8 Pt4 Tb3 O17.5 ; _journal_name_full 'Journal of the Less-Common Metals' _journal_page_first 223 _journal_page_last 229 _journal_volume 159 _journal_year 1990 _chemical_formula_sum 'Ba8 O17.5 Pt4 Sc3' _chemical_name_systematic 'Ba8 Pt4 Sc3 O17.5' _space_group_IT_number 221 _symmetry_space_group_name_Hall '-P 4 2 3' _symmetry_space_group_name_H-M 'P m -3 m' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 1 _cell_length_a 8.1531 _cell_length_b 8.1531 _cell_length_c 8.1531 _cell_volume 541.961 _citation_journal_id_ASTM JCOMAH _cod_data_source_file Gutau_JCOMAH_1990_1762.cif _cod_data_source_block Ba8O17.5Pt4Sc3 _cod_original_cell_volume 541.9614 _cod_database_code 1534834 loop_ _symmetry_equiv_pos_as_xyz x,y,z -y,x,z -x,-y,z y,-x,z x,-y,-z y,x,-z -x,y,-z -y,-x,-z z,x,y -x,z,y -z,-x,y x,-z,y z,-x,-y x,z,-y -z,x,-y -x,-z,-y y,z,x y,-z,-x z,y,-x -y,z,-x -z,-y,-x -y,-z,x z,-y,x -z,y,x -x,-y,-z y,-x,-z x,y,-z -y,x,-z -x,y,z -y,-x,z x,-y,z y,x,z -z,-x,-y x,-z,-y z,x,-y -x,z,-y -z,x,y -x,-z,y z,-x,y x,z,y -y,-z,-x -y,z,x -z,-y,x y,-z,x z,y,x y,z,-x -z,y,-x z,-y,-x 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 Pt2 Pt+4 0 0 0 1 0.0 O2 O-2 0 0 0.246 0.9722 0.0 O1 O-2 0.256 0.5 0 0.9722 0.0 Sc1 Sc+3 0.5 0 0 1 0.0 Ba1 Ba+2 0.2432 0.2432 0.2432 1 0.0 Pt1 Pt+2 0.5 0.5 0 1 0.0