#------------------------------------------------------------------------------ #$Date: 2015-07-08 20:36:49 +0300 (Wed, 08 Jul 2015) $ #$Revision: 141268 $ #$URL: file:///home/coder/svn-repositories/cod/cif/2/10/60/2106088.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/. The original data for this entry # were provided by IUCr Journals, http://journals.iucr.org/. # # 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_2106088 loop_ _publ_author_name 'Chabot, B.' 'Parthe, E.' 'Cenzual, K.' _publ_section_title ; Sc11 Ir4, Sc11 Os4, Sc11 Ru4 and Zr11 Os4 with a new cubic structure type described by means of a cluster concept ; _journal_name_full 'Acta Crystallographica B (24,1968-38,1982)' _journal_page_first 7 _journal_page_last 11 _journal_volume 36 _journal_year 1980 _chemical_formula_sum 'Os4 Sc11' _chemical_name_systematic 'Sc11 Os4' _space_group_IT_number 225 _symmetry_space_group_name_Hall '-F 4 2 3' _symmetry_space_group_name_H-M 'F m -3 m' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 8 _cell_length_a 13.344 _cell_length_b 13.344 _cell_length_c 13.344 _cell_volume 2376.064 _citation_journal_id_ASTM ACBCAR _cod_data_source_file Chabot_ACBCAR_1980_695.cif _cod_data_source_block Os4Sc11 _cod_database_code 2106088 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 x,y+1/2,z+1/2 -y,x+1/2,z+1/2 -x,-y+1/2,z+1/2 y,-x+1/2,z+1/2 x,-y+1/2,-z+1/2 y,x+1/2,-z+1/2 -x,y+1/2,-z+1/2 -y,-x+1/2,-z+1/2 z,x+1/2,y+1/2 -x,z+1/2,y+1/2 -z,-x+1/2,y+1/2 x,-z+1/2,y+1/2 z,-x+1/2,-y+1/2 x,z+1/2,-y+1/2 -z,x+1/2,-y+1/2 -x,-z+1/2,-y+1/2 y,z+1/2,x+1/2 y,-z+1/2,-x+1/2 z,y+1/2,-x+1/2 -y,z+1/2,-x+1/2 -z,-y+1/2,-x+1/2 -y,-z+1/2,x+1/2 z,-y+1/2,x+1/2 -z,y+1/2,x+1/2 -x,-y+1/2,-z+1/2 y,-x+1/2,-z+1/2 x,y+1/2,-z+1/2 -y,x+1/2,-z+1/2 -x,y+1/2,z+1/2 -y,-x+1/2,z+1/2 x,-y+1/2,z+1/2 y,x+1/2,z+1/2 -z,-x+1/2,-y+1/2 x,-z+1/2,-y+1/2 z,x+1/2,-y+1/2 -x,z+1/2,-y+1/2 -z,x+1/2,y+1/2 -x,-z+1/2,y+1/2 z,-x+1/2,y+1/2 x,z+1/2,y+1/2 -y,-z+1/2,-x+1/2 -y,z+1/2,x+1/2 -z,-y+1/2,x+1/2 y,-z+1/2,x+1/2 z,y+1/2,x+1/2 y,z+1/2,-x+1/2 -z,y+1/2,-x+1/2 z,-y+1/2,-x+1/2 x+1/2,y,z+1/2 -y+1/2,x,z+1/2 -x+1/2,-y,z+1/2 y+1/2,-x,z+1/2 x+1/2,-y,-z+1/2 y+1/2,x,-z+1/2 -x+1/2,y,-z+1/2 -y+1/2,-x,-z+1/2 z+1/2,x,y+1/2 -x+1/2,z,y+1/2 -z+1/2,-x,y+1/2 x+1/2,-z,y+1/2 z+1/2,-x,-y+1/2 x+1/2,z,-y+1/2 -z+1/2,x,-y+1/2 -x+1/2,-z,-y+1/2 y+1/2,z,x+1/2 y+1/2,-z,-x+1/2 z+1/2,y,-x+1/2 -y+1/2,z,-x+1/2 -z+1/2,-y,-x+1/2 -y+1/2,-z,x+1/2 z+1/2,-y,x+1/2 -z+1/2,y,x+1/2 -x+1/2,-y,-z+1/2 y+1/2,-x,-z+1/2 x+1/2,y,-z+1/2 -y+1/2,x,-z+1/2 -x+1/2,y,z+1/2 -y+1/2,-x,z+1/2 x+1/2,-y,z+1/2 y+1/2,x,z+1/2 -z+1/2,-x,-y+1/2 x+1/2,-z,-y+1/2 z+1/2,x,-y+1/2 -x+1/2,z,-y+1/2 -z+1/2,x,y+1/2 -x+1/2,-z,y+1/2 z+1/2,-x,y+1/2 x+1/2,z,y+1/2 -y+1/2,-z,-x+1/2 -y+1/2,z,x+1/2 -z+1/2,-y,x+1/2 y+1/2,-z,x+1/2 z+1/2,y,x+1/2 y+1/2,z,-x+1/2 -z+1/2,y,-x+1/2 z+1/2,-y,-x+1/2 x+1/2,y+1/2,z -y+1/2,x+1/2,z -x+1/2,-y+1/2,z y+1/2,-x+1/2,z x+1/2,-y+1/2,-z y+1/2,x+1/2,-z -x+1/2,y+1/2,-z -y+1/2,-x+1/2,-z z+1/2,x+1/2,y -x+1/2,z+1/2,y -z+1/2,-x+1/2,y x+1/2,-z+1/2,y z+1/2,-x+1/2,-y x+1/2,z+1/2,-y -z+1/2,x+1/2,-y -x+1/2,-z+1/2,-y y+1/2,z+1/2,x y+1/2,-z+1/2,-x z+1/2,y+1/2,-x -y+1/2,z+1/2,-x -z+1/2,-y+1/2,-x -y+1/2,-z+1/2,x z+1/2,-y+1/2,x -z+1/2,y+1/2,x -x+1/2,-y+1/2,-z y+1/2,-x+1/2,-z x+1/2,y+1/2,-z -y+1/2,x+1/2,-z -x+1/2,y+1/2,z -y+1/2,-x+1/2,z x+1/2,-y+1/2,z y+1/2,x+1/2,z -z+1/2,-x+1/2,-y x+1/2,-z+1/2,-y z+1/2,x+1/2,-y -x+1/2,z+1/2,-y -z+1/2,x+1/2,y -x+1/2,-z+1/2,y z+1/2,-x+1/2,y x+1/2,z+1/2,y -y+1/2,-z+1/2,-x -y+1/2,z+1/2,x -z+1/2,-y+1/2,x y+1/2,-z+1/2,x z+1/2,y+1/2,x y+1/2,z+1/2,-x -z+1/2,y+1/2,-x z+1/2,-y+1/2,-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 Sc1 Sc 0.2026 0 0 1 0.0 Os2 Os 0.5 0.5 0.5 1 0.0 Os3 Os 0 0.25 0.25 1 0.0 Sc3 Sc 0.1569 0.1569 0.1569 1 0.0 Os1 Os 0 0 0 1 0.0 Sc2 Sc 0.3837 0.3837 0.3837 1 0.0