#------------------------------------------------------------------------------ #$Date: 2015-07-13 04:00:30 +0300 (Mon, 13 Jul 2015) $ #$Revision: 149080 $ #$URL: file:///home/coder/svn-repositories/cod/cif/4/34/37/4343777.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_4343777 loop_ _publ_author_name 'Harel, M.' 'Knobler, C.' 'McCullough, J.D.' _publ_section_title ; The crystal structure of the ammonium salt of catena-di-mue-chromato-diamminezincate(II), (N H4)2 (Zn (N H3)2 (Cr O4)2) ; _journal_name_full 'Inorganic Chemistry' _journal_page_first 11 _journal_page_last 13 _journal_volume 8 _journal_year 1969 _chemical_formula_sum 'Cr2 H14 N4 O8 Zn' _chemical_name_systematic '(N H4)2 Zn (N H3)2 (Cr O4)2' _space_group_IT_number 12 _symmetry_space_group_name_Hall '-C 2y' _symmetry_space_group_name_H-M 'C 1 2/m 1' _cell_angle_alpha 90 _cell_angle_beta 111.2 _cell_angle_gamma 90 _cell_formula_units_Z 2 _cell_length_a 12.85 _cell_length_b 5.912 _cell_length_c 7.434 _cell_volume 526.535 _citation_journal_id_ASTM INOCAJ _cod_data_source_file Harel_INOCAJ_1969_1313.cif _cod_data_source_block H14Cr2N4O8Zn1 _cod_original_cell_volume 526.5346 _cod_chemical_formula_sum_orig 'H14 Cr2 N4 O8 Zn1' _cod_database_code 4343777 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x,y,-z -x,-y,-z x,-y,z x+1/2,y+1/2,z -x+1/2,y+1/2,-z -x+1/2,-y+1/2,-z x+1/2,-y+1/2,z 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 O2 O-2 0.069 0.5 0.339 1 0.0 N1 N-3 0.001 0 0.27 1 0.0 Cr1 Cr+6 0.1533 0.5 0.2142 1 0.0 O3 O-2 0.284 0.5 0.361 1 0.0 O1 O-2 0.13 0.269 0.077 1 0.0 Zn1 Zn+2 0 0 0 1 0.0 N2 N-3 0.328 0 0.263 1 0.0