#------------------------------------------------------------------------------ #$Date: 2013-03-28 18:17:04 +0200 (Thu, 28 Mar 2013) $ #$Revision: 77586 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/01/12/1011203.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_1011203 loop_ _publ_author_name 'Oftedal, I' _publ_section_title ; Die Kristallstruktur von Skutterdit und Speiskobalt-Chloanthit. ; _journal_coden_ASTM ZEKGAX _journal_name_full ; Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) ; _journal_page_first 517 _journal_page_last 546 _journal_volume 66 _journal_year 1927 _chemical_compound_source 'from Skutterud, Norway' _chemical_formula_structural 'Co As3' _chemical_formula_sum 'As3 Co' _chemical_name_mineral Skutterudite _chemical_name_systematic 'Cobalt arsenide (1/3)' _symmetry_cell_setting cubic _symmetry_Int_Tables_number 204 _symmetry_space_group_name_H-M 'I m -3' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 8 _cell_length_a 8.189(2) _cell_length_b 8.189(2) _cell_length_c 8.189(2) _cell_volume 549.2 _exptl_crystal_density_meas 6.8 _cod_database_code 1011203 loop_ _symmetry_equiv_pos_as_xyz x,y,z x,-y,-z -x,y,-z -x,-y,z y,z,x -y,-z,x y,-z,-x -y,z,-x z,x,y -z,x,-y -z,-x,y z,-x,-y -x,-y,-z -x,y,z x,-y,z x,y,-z -y,-z,-x y,z,-x -y,z,x y,-z,x -z,-x,-y z,-x,y z,x,-y -z,x,y 1/2+x,1/2+y,1/2+z 1/2+x,1/2-y,1/2-z 1/2-x,1/2+y,1/2-z 1/2-x,1/2-y,1/2+z 1/2+y,1/2+z,1/2+x 1/2-y,1/2-z,1/2+x 1/2+y,1/2-z,1/2-x 1/2-y,1/2+z,1/2-x 1/2+z,1/2+x,1/2+y 1/2-z,1/2+x,1/2-y 1/2-z,1/2-x,1/2+y 1/2+z,1/2-x,1/2-y 1/2-x,1/2-y,1/2-z 1/2-x,1/2+y,1/2+z 1/2+x,1/2-y,1/2+z 1/2+x,1/2+y,1/2-z 1/2-y,1/2-z,1/2-x 1/2+y,1/2+z,1/2-x 1/2-y,1/2+z,1/2+x 1/2+y,1/2-z,1/2+x 1/2-z,1/2-x,1/2-y 1/2+z,1/2-x,1/2+y 1/2+z,1/2+x,1/2-y 1/2-z,1/2+x,1/2+y loop_ _atom_site_label _atom_site_type_symbol _atom_site_symmetry_multiplicity _atom_site_Wyckoff_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_attached_hydrogens _atom_site_calc_flag Co1 Co0 8 c 0.25 0.25 0.25 1. 0 d As1 As0 24 g 0. 0.350(1) 0.15 1. 0 d loop_ _atom_type_symbol _atom_type_oxidation_number Co0 0.000 As0 0.000