#------------------------------------------------------------------------------ #$Date: 2011-09-28 17:24:46 +0300 (Wed, 28 Sep 2011) $ #$Revision: 26848 $ #$URL: file:///home/coder/svn-repositories/cod/cif/2/10/40/2104016.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_2104016 loop_ _publ_author_name 'Lind, Hanna' 'Bostr\"om, Magnus' 'Pet\3\s(I) _[local]_cod_data_source_file sn5001.cif _[local]_cod_data_source_block global loop_ _atom_type_symbol _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source Co 0.349 0.972 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.1' Zn 0.284 1.430 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.1' 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_occupancy _atom_site_type_symbol Co -0.16084(16) -0.3052(4) 0.0879(2) 0.0105(4) Uani d 1 Co Zn1 -0.21276(11) 0 0.09149(9) 0.0174(3) Uani d 1 Zn Zn2 0.41599(17) 0 0.02151(12) 0.0215(5) Uani d 1 Zn Zn3 0.27052(14) 0 0.23105(11) 0.0136(4) Uani d 1 Zn Zn4 0.07312(9) 0 0.09012(7) 0.0146(3) Uani d 1 Zn Zn5 -0.43014(9) 0 0.21472(7) 0.0140(3) Uani d 1 Zn 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 Co 0.0060(7) 0.0193(9) 0.0064(7) -0.0114(6) -0.0023(6) 0.0028(6) Co Zn1 0.0160(5) 0.0225(6) 0.0138(6) 0 0.0030(5) 0 Zn Zn2 0.0378(9) 0.0081(7) 0.0187(8) 0 -0.0074(7) 0 Zn Zn3 0.0136(6) 0.0148(7) 0.0126(6) 0 -0.0028(5) 0 Zn Zn4 0.0160(5) 0.0152(5) 0.0126(5) 0 -0.0005(4) 0 Zn Zn5 0.0183(5) 0.0097(5) 0.0140(5) 0 0.0032(4) 0 Zn loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_site_symmetry_2 _geom_bond_publ_flag Co Co 4_555 yes Co Zn1 1_545 yes Co Zn1 15_445 yes Co Zn2 3_555 yes Co Zn2 15_545 yes Co Zn3 7_545 yes Co Zn4 1_545 yes Co Zn4 . yes Co Zn4 13_445 yes Co Zn4 3_545 yes Co Zn4 3_555 yes Co Zn5 . yes Co Zn5 13_545 yes Co Zn5 11_445 yes Co Zn5 11_455 yes loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_3 _geom_angle_publ_flag Co Co Zn1 4_555 1_545 yes Co Co Zn1 4_555 13_545 yes Co Co Zn1 4_555 3_555 yes Co Co Zn1 4_555 11_455 yes Co Co Zn1 4_555 15_445 yes Co Co Zn1 4_555 15_455 yes Co Co Zn2 4_555 3_545 yes Co Co Zn2 4_555 3_555 yes Co Co Zn2 4_555 15_545 yes Co Co Zn3 4_555 7_545 yes Co Co Zn4 4_555 1_545 yes Co Co Zn4 4_555 . yes Co Co Zn4 4_555 13_445 yes Co Co Zn4 4_555 3_545 yes Co Co Zn4 4_555 3_555 yes Co Co Zn5 4_555 1_545 yes Co Co Zn5 4_555 . yes Co Co Zn5 4_555 13_545 yes Co Co Zn5 4_555 11_445 yes Co Co Zn5 4_555 11_455 yes Co Co Zn5 4_555 15_445 yes Zn1 Co Zn1 1_545 13_545 yes Zn1 Co Zn1 1_545 3_555 yes Zn1 Co Zn1 1_545 11_455 yes Zn1 Co Zn1 1_545 15_445 yes Zn1 Co Zn1 1_545 15_455 yes Zn1 Co Zn2 1_545 3_545 yes Zn1 Co Zn2 1_545 3_555 yes Zn1 Co Zn2 1_545 15_545 yes Zn1 Co Zn3 1_545 7_545 yes Zn1 Co Zn4 1_545 1_545 yes Zn1 Co Zn4 1_545 . yes Zn1 Co Zn4 1_545 13_445 yes Zn1 Co Zn4 1_545 3_545 yes Zn1 Co Zn4 1_545 3_555 yes Zn1 Co Zn5 1_545 1_545 yes Zn1 Co Zn5 1_545 . yes Zn1 Co Zn5 1_545 13_545 yes Zn1 Co Zn5 1_545 11_445 yes Zn1 Co Zn5 1_545 11_455 yes Zn1 Co Zn5 1_545 15_445 yes Zn1 Co Zn1 15_445 1_545 yes Zn1 Co Zn1 15_445 13_545 yes Zn1 Co Zn1 15_445 3_555 yes Zn1 Co Zn1 15_445 11_455 yes Zn1 Co Zn1 15_445 15_455 yes Zn1 Co Zn2 15_445 3_545 yes Zn1 Co Zn2 15_445 3_555 yes Zn1 Co Zn2 15_445 15_545 yes Zn1 Co Zn3 15_445 7_545 yes Zn1 Co Zn4 15_445 1_545 yes Zn1 Co Zn4 15_445 . yes Zn1 Co Zn4 15_445 13_445 yes Zn1 Co Zn4 15_445 3_545 yes Zn1 Co Zn4 15_445 3_555 yes Zn1 Co Zn5 15_445 1_545 yes Zn1 Co Zn5 15_445 . yes Zn1 Co Zn5 15_445 13_545 yes Zn1 Co Zn5 15_445 11_445 yes Zn1 Co Zn5 15_445 11_455 yes Zn1 Co Zn5 15_445 15_445 yes Zn2 Co Zn2 3_555 3_545 yes Zn2 Co Zn2 3_555 15_545 yes Zn2 Co Zn3 3_555 7_545 yes Zn2 Co Zn4 3_555 1_545 yes Zn2 Co Zn4 3_555 . yes Zn2 Co Zn4 3_555 13_445 yes Zn2 Co Zn4 3_555 3_545 yes Zn2 Co Zn4 3_555 3_555 yes Zn2 Co Zn5 3_555 1_545 yes Zn2 Co Zn5 3_555 . yes Zn2 Co Zn5 3_555 13_545 yes Zn2 Co Zn5 3_555 11_445 yes Zn2 Co Zn5 3_555 11_455 yes Zn2 Co Zn5 3_555 15_445 yes Zn2 Co Zn2 15_545 3_545 yes Zn2 Co Zn2 15_545 3_555 yes Zn2 Co Zn3 15_545 7_545 yes Zn2 Co Zn4 15_545 1_545 yes Zn2 Co Zn4 15_545 . yes Zn2 Co Zn4 15_545 13_445 yes Zn2 Co Zn4 15_545 3_545 yes Zn2 Co Zn4 15_545 3_555 yes Zn2 Co Zn5 15_545 1_545 yes Zn2 Co Zn5 15_545 . yes Zn2 Co Zn5 15_545 13_545 yes Zn2 Co Zn5 15_545 11_445 yes Zn2 Co Zn5 15_545 11_455 yes Zn2 Co Zn5 15_545 15_445 yes Zn3 Co Zn4 7_545 1_545 yes Zn3 Co Zn4 7_545 . yes Zn3 Co Zn4 7_545 13_445 yes Zn3 Co Zn4 7_545 3_545 yes Zn3 Co Zn4 7_545 3_555 yes Zn3 Co Zn5 7_545 1_545 yes Zn3 Co Zn5 7_545 . yes Zn3 Co Zn5 7_545 13_545 yes Zn3 Co Zn5 7_545 11_445 yes Zn3 Co Zn5 7_545 11_455 yes Zn3 Co Zn5 7_545 15_445 yes Zn4 Co Zn4 1_545 . yes Zn4 Co Zn4 1_545 13_445 yes Zn4 Co Zn4 1_545 3_545 yes Zn4 Co Zn4 1_545 3_555 yes Zn4 Co Zn5 1_545 1_545 yes Zn4 Co Zn5 1_545 . yes Zn4 Co Zn5 1_545 13_545 yes Zn4 Co Zn5 1_545 11_445 yes Zn4 Co Zn5 1_545 11_455 yes Zn4 Co Zn5 1_545 15_445 yes Zn4 Co Zn4 . 1_545 yes Zn4 Co Zn4 . 13_445 yes Zn4 Co Zn4 . 3_545 yes Zn4 Co Zn4 . 3_555 yes Zn4 Co Zn5 . 1_545 yes Zn4 Co Zn5 . . yes Zn4 Co Zn5 . 13_545 yes Zn4 Co Zn5 . 11_445 yes Zn4 Co Zn5 . 11_455 yes Zn4 Co Zn5 . 15_445 yes Zn4 Co Zn4 13_445 1_545 yes Zn4 Co Zn4 13_445 . yes Zn4 Co Zn4 13_445 3_545 yes Zn4 Co Zn4 13_445 3_555 yes Zn4 Co Zn5 13_445 1_545 yes Zn4 Co Zn5 13_445 . yes Zn4 Co Zn5 13_445 13_545 yes Zn4 Co Zn5 13_445 11_445 yes Zn4 Co Zn5 13_445 11_455 yes Zn4 Co Zn5 13_445 15_445 yes Zn4 Co Zn4 3_545 1_545 yes Zn4 Co Zn4 3_545 . yes Zn4 Co Zn4 3_545 13_445 yes Zn4 Co Zn4 3_545 3_555 yes Zn4 Co Zn5 3_545 1_545 yes Zn4 Co Zn5 3_545 . yes Zn4 Co Zn5 3_545 13_545 yes Zn4 Co Zn5 3_545 11_445 yes Zn4 Co Zn5 3_545 11_455 yes Zn4 Co Zn5 3_545 15_445 yes Zn4 Co Zn4 3_555 1_545 yes Zn4 Co Zn4 3_555 . yes Zn4 Co Zn4 3_555 13_445 yes Zn4 Co Zn4 3_555 3_545 yes Zn4 Co Zn5 3_555 1_545 yes Zn4 Co Zn5 3_555 . yes Zn4 Co Zn5 3_555 13_545 yes Zn4 Co Zn5 3_555 11_445 yes Zn4 Co Zn5 3_555 11_455 yes Zn4 Co Zn5 3_555 15_445 yes Zn5 Co Zn5 . 1_545 yes Zn5 Co Zn5 . 13_545 yes Zn5 Co Zn5 . 11_445 yes Zn5 Co Zn5 . 11_455 yes Zn5 Co Zn5 . 15_445 yes Zn5 Co Zn5 13_545 1_545 yes Zn5 Co Zn5 13_545 . yes Zn5 Co Zn5 13_545 11_445 yes Zn5 Co Zn5 13_545 11_455 yes Zn5 Co Zn5 13_545 15_445 yes Zn5 Co Zn5 11_445 1_545 yes Zn5 Co Zn5 11_445 . yes Zn5 Co Zn5 11_445 13_545 yes Zn5 Co Zn5 11_445 11_455 yes Zn5 Co Zn5 11_445 15_445 yes Zn5 Co Zn5 11_455 1_545 yes Zn5 Co Zn5 11_455 . yes Zn5 Co Zn5 11_455 13_545 yes Zn5 Co Zn5 11_455 11_445 yes Zn5 Co Zn5 11_455 15_445 yes _cod_database_code 2104016