#------------------------------------------------------------------------------ #$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $ #$Revision: 14 $ #$URL: file:///home/coder/svn-repositories/cod/cif/2/2013925.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_2013925 _journal_name_full 'Acta Crystallographica, Section C' _journal_year 2004 _journal_volume 60 _journal_page_first i59 _journal_page_last i60 _publ_section_title ; Oxygen-deficient strontium cobaltate, SrCoO~2.64~ ; loop_ _publ_author_name 'Nakatsuka, Akihiko' 'Yoshiasa, Akira' 'Nakayama, Noriaki' 'Mizota, Tadato' 'Takei, Humihiko' _chemical_name_common 'strontium cobaltate' _chemical_formula_sum 'Co O2.64 Sr' _chemical_formula_iupac 'Sr Co O2.64' _chemical_formula_weight 188.79 _symmetry_cell_setting cubic _symmetry_space_group_name_H-M 'P m -3 m' _symmetry_space_group_name_Hall '-P 4 2 3' loop_ _symmetry_equiv_pos_as_xyz 'x,y,z' '-x,-y,z' '-x,y,-z' 'x,-y,-z' 'z,x,y' 'z,-x,-y' '-z,-x,y' '-z,x,-y' 'y,z,x' '-y,z,-x' 'y,-z,-x' '-y,-z,x' 'y,x,-z' '-y,-x,-z' 'y,-x,z' '-y,x,z' 'x,z,-y' '-x,z,y' '-x,-z,-y' 'x,-z,y' 'z,y,-x' 'z,-y,x' '-z,y,x' '-z,-y,-x' '-x,-y,-z' 'x,y,-z' 'x,-y,z' '-x,y,z' '-z,-x,-y' '-z,x,y' 'z,x,-y' 'z,-x,y' '-y,-z,-x' 'y,-z,x' '-y,z,x' 'y,z,-x' '-y,-x,z' 'y,x,z' '-y,x,-z' 'y,-x,-z' '-x,-z,y' 'x,-z,-y' 'x,z,y' '-x,z,-y' '-z,-y,x' '-z,y,-x' 'z,-y,-x' 'z,y,x' _cell_length_a 3.8530(4) _cell_length_b 3.8530(4) _cell_length_c 3.8530(4) _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 57.20(2) _cell_formula_units_Z 1 _cell_measurement_temperature 296 _exptl_crystal_density_diffrn 5.483 loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_calc_flag _atom_site_refinement_flags _atom_site_occupancy _atom_site_disorder_assembly _atom_site_disorder_group _atom_site_type_symbol Sr 0 0 0 0.01400(9) Uani d S 1.0 . . Sr Co 0.5 0.5 0.5 0.01009(8) Uani d S 1.0 . . Co O 0.5 0.5 0 0.025(2) Uani d SP 0.880(10) . . O loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 _atom_site_aniso_type_symbol Sr .0140(2) .0140(2) .0140(2) .0 .0 .0 Sr Co .0101(2) .0101(2) .0101(2) .0 .0 .0 Co O .049(4) .0126(11) .0126(11) .0 .0 .0 O loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_site_symmetry_1 _geom_bond_site_symmetry_2 _geom_bond_distance _geom_bond_publ_flag Sr O . . 2.7245(2) yes Co O . . 1.9265(2) yes O O . 5_555 2.7245(2) yes