#------------------------------------------------------------------------------ #$Date: 2010-04-10 21:37:29 +0300 (Sat, 10 Apr 2010) $ #$Revision: 1071 $ #$URL: file:///home/coder/svn-repositories/cod/cif/9/9011073.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/. The original data for this entry # were provided the American Mineralogist Crystal Structure Database, # http://rruff.geo.arizona.edu/AMS/amcsd.php # # 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_9011073 loop_ _publ_author_name 'Dorset, D. L.' 'McCourt, M. P.' _publ_section_title ; Disorder and the molecular packing of C60 buckminsterfullerene: a direct electron-crystallographic analysis Locality: synthetic Sample: room T ; _journal_name_full 'Acta Crystallographica, Section A' _journal_page_first 344 _journal_page_last 351 _journal_volume 50 _journal_year 1994 _chemical_formula_sum C5 _chemical_name_mineral Buckmisterfullerene _space_group_IT_number 202 _symmetry_space_group_name_Hall '-F 2 2 3' _symmetry_space_group_name_H-M 'F m -3' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_length_a 14.26 _cell_length_b 14.26 _cell_length_c 14.26 _cell_volume 2899.737 _exptl_crystal_density_diffrn 1.651 _[local]_cod_data_source_file cifdata.txt _[local]_cod_data_source_block 'global_8861' _[local]_cod_cif_authors_sg_H-M 'F m 3' _cod_database_code 9011073 loop_ _symmetry_equiv_pos_as_xyz x,y,z x,1/2+y,1/2+z 1/2+x,y,1/2+z 1/2+x,1/2+y,z z,x,-y z,1/2+x,1/2-y 1/2+z,x,1/2-y 1/2+z,1/2+x,-y z,-x,y z,1/2-x,1/2+y 1/2+z,-x,1/2+y 1/2+z,1/2-x,y -z,x,y -z,1/2+x,1/2+y 1/2-z,x,1/2+y 1/2-z,1/2+x,y -z,-x,-y -z,1/2-x,1/2-y 1/2-z,-x,1/2-y 1/2-z,1/2-x,-y y,-z,-x y,1/2-z,1/2-x 1/2+y,-z,1/2-x 1/2+y,1/2-z,-x -y,-z,x -y,1/2-z,1/2+x 1/2-y,-z,1/2+x 1/2-y,1/2-z,x -y,z,-x -y,1/2+z,1/2-x 1/2-y,z,1/2-x 1/2-y,1/2+z,-x y,z,x y,1/2+z,1/2+x 1/2+y,z,1/2+x 1/2+y,1/2+z,x x,-y,z x,1/2-y,1/2+z 1/2+x,-y,1/2+z 1/2+x,1/2-y,z -x,y,z -x,1/2+y,1/2+z 1/2-x,y,1/2+z 1/2-x,1/2+y,z x,y,-z x,1/2+y,1/2-z 1/2+x,y,1/2-z 1/2+x,1/2+y,-z -x,-y,-z -x,1/2-y,1/2-z 1/2-x,-y,1/2-z 1/2-x,1/2-y,-z -z,-x,y -z,1/2-x,1/2+y 1/2-z,-x,1/2+y 1/2-z,1/2-x,y -z,x,-y -z,1/2+x,1/2-y 1/2-z,x,1/2-y 1/2-z,1/2+x,-y z,-x,-y z,1/2-x,1/2-y 1/2+z,-x,1/2-y 1/2+z,1/2-x,-y z,x,y z,1/2+x,1/2+y 1/2+z,x,1/2+y 1/2+z,1/2+x,y -y,z,x -y,1/2+z,1/2+x 1/2-y,z,1/2+x 1/2-y,1/2+z,x y,z,-x y,1/2+z,1/2-x 1/2+y,z,1/2-x 1/2+y,1/2+z,-x y,-z,x y,1/2-z,1/2+x 1/2+y,-z,1/2+x 1/2+y,1/2-z,x -y,-z,-x -y,1/2-z,1/2-x 1/2-y,-z,1/2-x 1/2-y,1/2-z,-x -x,y,-z -x,1/2+y,1/2-z 1/2-x,y,1/2-z 1/2-x,1/2+y,-z x,-y,-z x,1/2-y,1/2-z 1/2+x,-y,1/2-z 1/2+x,1/2-y,-z -x,-y,z -x,1/2-y,1/2+z 1/2-x,-y,1/2+z 1/2-x,1/2-y,z loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv C1 0.05200 0.00000 0.24900 0.07599 C2 0.10500 0.08500 0.22000 0.07599 C3 0.18500 0.05200 0.16500 0.07599