#------------------------------------------------------------------------------ #$Date: 2016-11-07 13:12:32 +0200 (Mon, 07 Nov 2016) $ #$Revision: 188008 $ #$URL: file:///home/coder/svn-repositories/cod/cif/9/01/57/9015772.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/. The original data for this entry # were provided the American Mineralogist Crystal Structure Database, # http://rruff.geo.arizona.edu/AMS/amcsd.php # # 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_9015772 loop_ _publ_author_name 'van Driel, M.' 'Verweel, H.' _publ_section_title ; Ueber die Struktur der Tripelnitrite. _cod_database_code 1010259 ; _journal_name_full 'Zeitschrift fur Kristallographie' _journal_page_first 308 _journal_page_last 314 _journal_volume 95 _journal_year 1936 _chemical_formula_sum 'Co N9 O12' _space_group_IT_number 202 _symmetry_space_group_name_Hall '-F 2 2 3' _symmetry_space_group_name_H-M 'F m -3' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_length_a 10.78 _cell_length_b 10.78 _cell_length_c 10.78 _cell_volume 1252.727 _database_code_amcsd 0017186 _exptl_crystal_density_diffrn 1.999 _cod_duplicate_entry 1010259 _cod_original_sg_symbol_H-M 'F m 3' _cod_original_formula_sum 'N9 Co O12' _cod_database_code 9015772 _amcsd_formula_title 'Co H12 N9 O12' loop_ _space_group_symop_operation_xyz x,y,z x,1/2+y,1/2+z 1/2+x,y,1/2+z 1/2+x,1/2+y,z z,x,-y z,1/2+x,1/2-y 1/2+z,x,1/2-y 1/2+z,1/2+x,-y z,-x,y z,1/2-x,1/2+y 1/2+z,-x,1/2+y 1/2+z,1/2-x,y -z,x,y -z,1/2+x,1/2+y 1/2-z,x,1/2+y 1/2-z,1/2+x,y -z,-x,-y -z,1/2-x,1/2-y 1/2-z,-x,1/2-y 1/2-z,1/2-x,-y y,-z,-x y,1/2-z,1/2-x 1/2+y,-z,1/2-x 1/2+y,1/2-z,-x -y,-z,x -y,1/2-z,1/2+x 1/2-y,-z,1/2+x 1/2-y,1/2-z,x -y,z,-x -y,1/2+z,1/2-x 1/2-y,z,1/2-x 1/2-y,1/2+z,-x y,z,x y,1/2+z,1/2+x 1/2+y,z,1/2+x 1/2+y,1/2+z,x x,-y,z x,1/2-y,1/2+z 1/2+x,-y,1/2+z 1/2+x,1/2-y,z -x,y,z -x,1/2+y,1/2+z 1/2-x,y,1/2+z 1/2-x,1/2+y,z x,y,-z x,1/2+y,1/2-z 1/2+x,y,1/2-z 1/2+x,1/2+y,-z -x,-y,-z -x,1/2-y,1/2-z 1/2-x,-y,1/2-z 1/2-x,1/2-y,-z -z,-x,y -z,1/2-x,1/2+y 1/2-z,-x,1/2+y 1/2-z,1/2-x,y -z,x,-y -z,1/2+x,1/2-y 1/2-z,x,1/2-y 1/2-z,1/2+x,-y z,-x,-y z,1/2-x,1/2-y 1/2+z,-x,1/2-y 1/2+z,1/2-x,-y z,x,y z,1/2+x,1/2+y 1/2+z,x,1/2+y 1/2+z,1/2+x,y -y,z,x -y,1/2+z,1/2+x 1/2-y,z,1/2+x 1/2-y,1/2+z,x y,z,-x y,1/2+z,1/2-x 1/2+y,z,1/2-x 1/2+y,1/2+z,-x y,-z,x y,1/2-z,1/2+x 1/2+y,-z,1/2+x 1/2+y,1/2-z,x -y,-z,-x -y,1/2-z,1/2-x 1/2-y,-z,1/2-x 1/2-y,1/2-z,-x -x,y,-z -x,1/2+y,1/2-z 1/2-x,y,1/2-z 1/2-x,1/2+y,-z x,-y,-z x,1/2-y,1/2-z 1/2+x,-y,1/2-z 1/2+x,1/2-y,-z -x,-y,z -x,1/2-y,1/2+z 1/2-x,-y,1/2+z 1/2-x,1/2-y,z loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_attached_hydrogens N1 0.25000 0.25000 0.25000 4 N2 0.50000 0.50000 0.50000 4 Co1 0.00000 0.00000 0.00000 0 N3 0.19500 0.00000 0.00000 0 O1 0.00000 0.23500 0.10000 0