#------------------------------------------------------------------------------ #$Date: 2023-03-26 11:09:57 +0300 (Sun, 26 Mar 2023) $ #$Revision: 282068 $ #$URL: file:///home/coder/svn-repositories/cod/cif/9/01/22/9012289.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_9012289 loop_ _publ_author_name 'Straumanis, M. E.' 'Aka, E. Z.' _publ_section_title ;Precision determination of lattice parameter, coefficient of thermal expansion and atomic weight of carbon in diamond Locality: Belgian Congo Sample: at T = 10 C Note: Diamond #1, lattice parameter is average of three runs ; _journal_name_full 'Journal of the American Chemical Society' _journal_page_first 5643 _journal_page_last 5646 _journal_paper_doi 10.1021/ja01156a043 _journal_volume 73 _journal_year 1951 _chemical_compound_source 'Belgian Congo' _chemical_formula_sum C _chemical_name_common Diamond _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 3.56669 _cell_length_b 3.56669 _cell_length_c 3.56669 _cell_volume 45.373 _database_code_amcsd 0014081 _diffrn_ambient_temperature 283.15 _exptl_crystal_density_diffrn 3.517 _cod_original_sg_symbol_H-M 'F d 3 m' _cod_database_code 9012289 loop_ _space_group_symop_operation_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 loop_ _cod_related_entry_id _cod_related_entry_database _cod_related_entry_code 1 AMCSD 0014081