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石墨相氮化碳g-c6n6的cif怎么找呀 @jackdeng 发自小木虫Android客户端 |
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2楼2023-04-03 11:26:08
rlafite
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#------------------------------------------------------------------------------ #$Date: 2016-02-13 14:50:18 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176428 $ #$URL: svn://www.crystallography.net/cod/cif/2/31/04/2310460.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # https://www.crystallography.net/. The original data for this entry # were provided by IUCr Journals, https://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_2310460 loop_ _publ_author_name 'Parkes, A.S.' 'Hughes, R.E.' _publ_section_title ; The crystal structure of cyanogen ; _journal_name_full 'Acta Crystallographica (1,1948-23,1967)' _journal_page_first 734 _journal_page_last 736 _journal_volume 16 _journal_year 1963 _chemical_formula_sum 'C6 N6' _chemical_name_systematic 'N C C N' _space_group_IT_number 61 _symmetry_space_group_name_Hall '-P 2bc 2ac' _symmetry_space_group_name_H-M 'P c a b' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 6.31 _cell_length_b 7.08 _cell_length_c 6.19 _cell_volume 276.537 _citation_journal_id_ASTM ACCRA9 _cod_data_source_file Parkes_ACCRA9_1963_1710.cif _cod_data_source_block C6N6 _cod_original_sg_symbol_Hall '-P 2ac 2ab (z,y,-x)' _cod_database_code 2310460 loop_ _symmetry_equiv_pos_as_xyz x,y,z x+1/2,-y,-z+1/2 -x,-y+1/2,z+1/2 -x+1/2,y+1/2,-z -x,-y,-z -x-1/2,y,z-1/2 x,y-1/2,-z-1/2 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 C1 C 0.0327 0.0483 0.09 1 0.0 N1 N 0.0857 0.1271 0.2386 1 0.0 |
3楼2023-04-04 00:25:07