#------------------------------------------------------------------------------ #$Date: 2022-09-25 20:10:12 +0100 (Sun, 25 Sep 2022) $ #$Revision: 278158 $ #$URL: svn://www.crystallography.net/cod/cif/1/01/08/1010860.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_1010860 loop_ _publ_author_name 'Silberstein, M A' _publ_section_title 'Sur quelques complexes bromocupriques.' _journal_coden_ASTM COREAF _journal_name_full ; Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences (1884 - 1965) ; _journal_page_first 909 _journal_page_last 911 _journal_volume 205 _journal_year 1937 _chemical_formula_structural '(N H4)2 Cu Br4 (H2 O)2' _chemical_formula_sum 'Br4 Cu H12 N2 O2' _chemical_name_systematic 'Diammonium copper bromide dihydrate' _space_group_IT_number 136 _symmetry_cell_setting tetragonal _symmetry_Int_Tables_number 136 _symmetry_space_group_name_Hall '-P 4n 2n' _symmetry_space_group_name_H-M 'P 42/m n m' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 0 _cell_length_a 8.14 _cell_length_b 8.14 _cell_length_c 8.14 _cell_volume 539.4 _cod_original_formula_sum 'H12 Br4 Cu N2 O2' _cod_database_code 1010860 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x,-y,z 1/2+x,1/2-y,1/2+z 1/2-x,1/2+y,1/2+z -x,-y,-z x,y,-z 1/2-x,1/2+y,1/2-z 1/2+x,1/2-y,1/2-z y,x,z -y,-x,z 1/2-y,1/2+x,1/2+z 1/2+y,1/2-x,1/2+z -y,-x,-z y,x,-z 1/2+y,1/2-x,1/2-z 1/2-y,1/2+x,1/2-z loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z ? ? ? ?