#------------------------------------------------------------------------------ #$Date$ #$Revision$ #$URL$ #------------------------------------------------------------------------------ # # 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_9011575 loop_ _publ_author_name 'Riley, D. P.' _publ_section_title ; Lattice constant of diamond and the C-C single bond Locality: commercial diamond dust sieved to obtain small crystals Sample: at T = 18 C ; _journal_name_full Nature _journal_page_first 587 _journal_page_last 588 _journal_volume 153 _journal_year 1944 _chemical_formula_sum C _chemical_name_mineral Diamond _space_group_IT_number 227 _symmetry_space_group_name_Hall 'F 4d 2 3 -1d' _symmetry_space_group_name_H-M 'F d -3 m :1' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_length_a 3.56679 _cell_length_b 3.56679 _cell_length_c 3.56679 _cell_volume 45.377 _[local]_cod_data_source_file 10889.cif _[local]_cod_data_source_block global _[local]_cod_cif_authors_sg_H-M 'F d 3 m' 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 3/4+z,3/4-x,1/4+y 3/4+z,1/4-x,3/4+y 1/4+z,3/4-x,3/4+y 1/4+z,1/4-x,1/4+y -y,1/2+z,1/2-x -y,+z,-x 1/2-y,1/2+z,-x 1/2-y,+z,1/2-x 3/4+x,3/4-y,1/4+z 3/4+x,1/4-y,3/4+z 1/4+x,3/4-y,3/4+z 1/4+x,1/4-y,1/4+z -z,1/2+x,1/2-y -z,+x,-y 1/2-z,1/2+x,-y 1/2-z,+x,1/2-y 3/4+y,3/4-z,1/4+x 3/4+y,1/4-z,3/4+x 1/4+y,3/4-z,3/4+x 1/4+y,1/4-z,1/4+x -x,1/2+y,1/2-z -x,+y,-z 1/2-x,1/2+y,-z 1/2-x,+y,1/2-z 1/2+x,-z,1/2-y 1/2+x,1/2-z,-y +x,-z,-y +x,1/2-z,1/2-y 3/4-z,3/4+y,1/4+x 3/4-z,1/4+y,3/4+x 1/4-z,3/4+y,3/4+x 1/4-z,1/4+y,1/4+x 1/2+y,-x,1/2-z 1/2+y,1/2-x,-z +y,-x,-z +y,1/2-x,1/2-z 3/4-x,3/4+z,1/4+y 3/4-x,1/4+z,3/4+y 1/4-x,3/4+z,3/4+y 1/4-x,1/4+z,1/4+y 1/2+z,-y,1/2-x 1/2+z,1/2-y,-x +z,-y,-x +z,1/2-y,1/2-x 3/4-y,3/4+x,1/4+z 3/4-y,1/4+x,3/4+z 1/4-y,3/4+x,3/4+z 1/4-y,1/4+x,1/4+z x,1/2+z,1/2+y x,+z,+y 1/2+x,1/2+z,+y 1/2+x,+z,1/2+y 1/4-z,3/4-y,3/4-x 1/4-z,1/4-y,1/4-x 3/4-z,3/4-y,1/4-x 3/4-z,1/4-y,3/4-x y,1/2+x,1/2+z y,+x,+z 1/2+y,1/2+x,+z 1/2+y,+x,1/2+z 1/4-x,3/4-z,3/4-y 1/4-x,1/4-z,1/4-y 3/4-x,3/4-z,1/4-y 3/4-x,1/4-z,3/4-y z,1/2+y,1/2+x z,+y,+x 1/2+z,1/2+y,+x 1/2+z,+y,1/2+x 1/4-y,3/4-x,3/4-z 1/4-y,1/4-x,1/4-z 3/4-y,3/4-x,1/4-z 3/4-y,1/4-x,3/4-z 3/4+z,1/4+x,3/4-y 3/4+z,3/4+x,1/4-y 1/4+z,1/4+x,1/4-y 1/4+z,3/4+x,3/4-y -y,1/2-z,1/2+x -y,-z,+x 1/2-y,1/2-z,+x 1/2-y,-z,1/2+x 3/4+x,1/4+y,3/4-z 3/4+x,3/4+y,1/4-z 1/4+x,1/4+y,1/4-z 1/4+x,3/4+y,3/4-z -z,1/2-x,1/2+y -z,-x,+y 1/2-z,1/2-x,+y 1/2-z,-x,1/2+y 3/4+y,1/4+z,3/4-x 3/4+y,3/4+z,1/4-x 1/4+y,1/4+z,1/4-x 1/4+y,3/4+z,3/4-x -x,1/2-y,1/2+z -x,-y,+z 1/2-x,1/2-y,+z 1/2-x,-y,1/2+z 1/4-z,3/4+x,3/4+y 1/4-z,1/4+x,1/4+y 3/4-z,3/4+x,1/4+y 3/4-z,1/4+x,3/4+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 1/4-x,3/4+y,3/4+z 1/4-x,1/4+y,1/4+z 3/4-x,3/4+y,1/4+z 3/4-x,1/4+y,3/4+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 1/4-y,3/4+z,3/4+x 1/4-y,1/4+z,1/4+x 3/4-y,3/4+z,1/4+x 3/4-y,1/4+z,3/4+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 1/2-x,1/2+z,-y 1/2-x,+z,1/2-y -x,1/2+z,1/2-y -x,+z,-y 1/4+z,3/4-y,3/4+x 1/4+z,1/4-y,1/4+x 3/4+z,3/4-y,1/4+x 3/4+z,1/4-y,3/4+x 1/2-y,1/2+x,-z 1/2-y,+x,1/2-z -y,1/2+x,1/2-z -y,+x,-z 1/4+x,3/4-z,3/4+y 1/4+x,1/4-z,1/4+y 3/4+x,3/4-z,1/4+y 3/4+x,1/4-z,3/4+y 1/2-z,1/2+y,-x 1/2-z,+y,1/2-x -z,1/2+y,1/2-x -z,+y,-x 1/4+y,3/4-x,3/4+z 1/4+y,1/4-x,1/4+z 3/4+y,3/4-x,1/4+z 3/4+y,1/4-x,3/4+z -x,-z,y -x,1/2-z,1/2+y 1/2-x,-z,1/2+y 1/2-x,1/2-z,y 3/4+z,3/4+y,1/4-x 3/4+z,1/4+y,3/4-x 1/4+z,3/4+y,3/4-x 1/4+z,1/4+y,1/4-x -y,-x,z -y,1/2-x,1/2+z 1/2-y,-x,1/2+z 1/2-y,1/2-x,z 3/4+x,3/4+z,1/4-y 3/4+x,1/4+z,3/4-y 1/4+x,3/4+z,3/4-y 1/4+x,1/4+z,1/4-y -z,-y,x -z,1/2-y,1/2+x 1/2-z,-y,1/2+x 1/2-z,1/2-y,x 3/4+y,3/4+x,1/4-z 3/4+y,1/4+x,3/4-z 1/4+y,3/4+x,3/4-z 1/4+y,1/4+x,1/4-z 1/4-z,1/4-x,1/4-y 1/4-z,3/4-x,3/4-y 3/4-z,1/4-x,3/4-y 3/4-z,3/4-x,1/4-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 1/4-x,1/4-y,1/4-z 1/4-x,3/4-y,3/4-z 3/4-x,1/4-y,3/4-z 3/4-x,3/4-y,1/4-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 1/4-y,1/4-z,1/4-x 1/4-y,3/4-z,3/4-x 3/4-y,1/4-z,3/4-x 3/4-y,3/4-z,1/4-x loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z C 0.00000 0.00000 0.00000