#------------------------------------------------------------------------------ #$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176429 $ #$URL: file:///home/coder/svn-repositories/cod/cif/8/10/43/8104345.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_8104345 loop_ _publ_author_name 'Ram, U.S.' 'Dubey, M.' 'Singh, G.' _publ_section_title ; Structure and growth of an unusual silicon carbide polytype 147R ; _journal_name_full ; Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) ; _journal_page_first 341 _journal_page_last 351 _journal_volume 137 _journal_year 1973 _chemical_formula_sum 'C Si' _chemical_name_systematic 'Si C' _space_group_IT_number 160 _symmetry_space_group_name_Hall 'R 3 -2"' _symmetry_space_group_name_H-M 'R 3 m :H' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_formula_units_Z 147 _cell_length_a 3.079 _cell_length_b 3.079 _cell_length_c 370.0198 _cell_volume 3037.910 _citation_journal_id_ASTM ZEKGAX _cod_data_source_file Ram_ZEKGAX_1973_552.cif _cod_data_source_block C1Si1 _cod_original_cell_volume 3037.911 _cod_original_formula_sum 'C1 Si1' _cod_database_code 8104345 loop_ _symmetry_equiv_pos_as_xyz x,y,z -y,x-y,z -x+y,-x,z -y,-x,z x,x-y,z -x+y,y,z x+2/3,y+1/3,z+1/3 -y+2/3,x-y+1/3,z+1/3 -x+y+2/3,-x+1/3,z+1/3 -y+2/3,-x+1/3,z+1/3 x+2/3,x-y+1/3,z+1/3 -x+y+2/3,y+1/3,z+1/3 x+1/3,y+2/3,z+2/3 -y+1/3,x-y+2/3,z+2/3 -x+y+1/3,-x+2/3,z+2/3 -y+1/3,-x+2/3,z+2/3 x+1/3,x-y+2/3,z+2/3 -x+y+1/3,y+2/3,z+2/3 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 C14 C 0 0 0.09354 1 0.0 Si14 Si 0 0 0.08844 1 0.0 Si47 Si 0 0 0.31293 1 0.0 Si40 Si 0 0 0.26531 1 0.0 C23 C 0.3333 0.6667 0.15476 1 0.0 Si22 Si 0.6667 0.3333 0.14286 1 0.0 Si13 Si 0.3333 0.6667 0.08163 1 0.0 Si5 Si 0 0 0.02721 1 0.0 Si1 Si 0 0 0 1 0.0 C29 C 0.6667 0.3333 0.19558 1 0.0 C15 C 0.3333 0.6667 0.10034 1 0.0 Si3 Si 0.3333 0.6667 0.01361 1 0.0 Si33 Si 0.6667 0.3333 0.21769 1 0.0 C6 C 0.3333 0.6667 0.03911 1 0.0 C49 C 0.3333 0.6667 0.33163 1 0.0 Si49 Si 0.3333 0.6667 0.32653 1 0.0 Si35 Si 0.3333 0.6667 0.23129 1 0.0 Si12 Si 0.6667 0.3333 0.07483 1 0.0 Si9 Si 0.3333 0.6667 0.05442 1 0.0 C27 C 0.6667 0.3333 0.18197 1 0.0 Si43 Si 0.3333 0.6667 0.28571 1 0.0 C4 C 0.6667 0.3333 0.02551 1 0.0 C10 C 0.6667 0.3333 0.06632 1 0.0 Si19 Si 0.3333 0.6667 0.12245 1 0.0 Si17 Si 0 0 0.10884 1 0.0 Si10 Si 0.6667 0.3333 0.06122 1 0.0 C13 C 0.3333 0.6667 0.08673 1 0.0 Si31 Si 0.3333 0.6667 0.20408 1 0.0 C38 C 0 0 0.2568 1 0.0 Si46 Si 0.6667 0.3333 0.30612 1 0.0 Si11 Si 0 0 0.06803 1 0.0 C22 C 0.6667 0.3333 0.14796 1 0.0 C3 C 0.3333 0.6667 0.01871 1 0.0 C2 C 0.6667 0.3333 0.01191 1 0.0 C24 C 0 0 0.16156 1 0.0 C46 C 0.6667 0.3333 0.31122 1 0.0 C7 C 0 0 0.04592 1 0.0 C17 C 0 0 0.11394 1 0.0 C33 C 0.6667 0.3333 0.22279 1 0.0 Si45 Si 0.3333 0.6667 0.29932 1 0.0 C19 C 0.3333 0.6667 0.12755 1 0.0 Si15 Si 0.3333 0.6667 0.09524 1 0.0 C36 C 0.6667 0.3333 0.24319 1 0.0 C5 C 0 0 0.03231 1 0.0 C16 C 0.6667 0.3333 0.10714 1 0.0 Si24 Si 0 0 0.15646 1 0.0 Si38 Si 0 0 0.2517 1 0.0 Si21 Si 0.3333 0.6667 0.13605 1 0.0 C32 C 0 0 0.21598 1 0.0 C42 C 0.6667 0.3333 0.28401 1 0.0 C43 C 0.3333 0.6667 0.29081 1 0.0 C18 C 0.6667 0.3333 0.12075 1 0.0 Si4 Si 0.6667 0.3333 0.02041 1 0.0 Si44 Si 0 0 0.29252 1 0.0 C1 C 0 0 0.0051 1 0.0 Si34 Si 0 0 0.22449 1 0.0 Si30 Si 0 0 0.19728 1 0.0 C26 C 0 0 0.17517 1 0.0 Si16 Si 0.6667 0.3333 0.10204 1 0.0 Si26 Si 0 0 0.17007 1 0.0 Si7 Si 0 0 0.04082 1 0.0 C20 C 0 0 0.13435 1 0.0 Si41 Si 0.3333 0.6667 0.27211 1 0.0 C41 C 0.3333 0.6667 0.27721 1 0.0 C31 C 0.3333 0.6667 0.20918 1 0.0 C21 C 0.3333 0.6667 0.14115 1 0.0 Si28 Si 0.3333 0.6667 0.18367 1 0.0 Si42 Si 0.6667 0.3333 0.27891 1 0.0 C30 C 0 0 0.20238 1 0.0 Si29 Si 0.6667 0.3333 0.19048 1 0.0 Si36 Si 0.6667 0.3333 0.23809 1 0.0 C12 C 0.6667 0.3333 0.07993 1 0.0 C39 C 0.6667 0.3333 0.2636 1 0.0 Si8 Si 0.6667 0.3333 0.04762 1 0.0 Si18 Si 0.6667 0.3333 0.11565 1 0.0 Si6 Si 0.3333 0.6667 0.03401 1 0.0 C8 C 0.6667 0.3333 0.05272 1 0.0 C45 C 0.3333 0.6667 0.30442 1 0.0 Si27 Si 0.6667 0.3333 0.17687 1 0.0 C28 C 0.3333 0.6667 0.18877 1 0.0 Si32 Si 0 0 0.21088 1 0.0 Si23 Si 0.3333 0.6667 0.14966 1 0.0 C11 C 0 0 0.07313 1 0.0 C48 C 0.6667 0.3333 0.32483 1 0.0 Si39 Si 0.6667 0.3333 0.2585 1 0.0 C47 C 0 0 0.31803 1 0.0 C35 C 0.3333 0.6667 0.23639 1 0.0 C25 C 0.6667 0.3333 0.16836 1 0.0 C34 C 0 0 0.22959 1 0.0 Si37 Si 0.3333 0.6667 0.2449 1 0.0 Si48 Si 0.6667 0.3333 0.31973 1 0.0 C37 C 0.3333 0.6667 0.25 1 0.0 Si20 Si 0 0 0.12925 1 0.0 C40 C 0 0 0.27041 1 0.0 Si2 Si 0.6667 0.3333 0.0068 1 0.0 C9 C 0.3333 0.6667 0.05952 1 0.0 Si25 Si 0.6667 0.3333 0.16326 1 0.0 C44 C 0 0 0.29762 1 0.0