#------------------------------------------------------------------------------ #$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176429 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/53/06/1530655.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_1530655 loop_ _publ_author_name 'Rowe, J.M.' 'Rush, J.J.' 'Luty, F.' _publ_section_title ; Crystal structure of rubidium cyanide at 4 K determined by neutron powder diffraction ; _journal_name_full 'Physical Review, Serie 3. B - Condensed Matter (18,1978-)' _journal_page_first 2168 _journal_page_last 2170 _journal_volume 29 _journal_year 1984 _chemical_formula_sum 'C N Rb' _chemical_name_systematic 'Rb (C N)' _space_group_IT_number 9 _symmetry_space_group_name_Hall 'C -2yc' _symmetry_space_group_name_H-M 'C 1 c 1' _cell_angle_alpha 90 _cell_angle_beta 122.25 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 7.8 _cell_length_b 4.876 _cell_length_c 9.527 _cell_volume 306.440 _citation_journal_id_ASTM PRBMDO _cod_data_source_file Rowe_PRBMDO_1984_1079.cif _cod_data_source_block C1N1Rb1 _cod_original_cell_volume 306.4398 _cod_original_formula_sum 'C1 N1 Rb1' _cod_database_code 1530655 loop_ _symmetry_equiv_pos_as_xyz x,y,z x,-y,z+1/2 x+1/2,y+1/2,z x+1/2,-y+1/2,z+1/2 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 N1 N-3 0.522 -0.01 0.26 0.5 0.0 C2 C+2 0.029 -0.092 0.048 0.5 0.0 Rb1 Rb+1 0 0.048 0 1 0.0 N2 N-3 0.029 -0.092 0.048 0.5 0.0 C1 C+2 0.522 -0.01 0.26 0.5 0.0