data_global _chemical_name_mineral 'Graphite' loop_ _publ_author_name 'Fayos J' _journal_name_full 'Journal of Solid State Chemistry' _journal_volume 148 _journal_year 1999 _journal_page_first 278 _journal_page_last 285 _publ_section_title ; Possible 3D carbon structures as progressive intermediates in graphite to diamond phase transition Note: mathematical model, phase: gra_crbl33_bo ; _database_code_amcsd 0013980 _chemical_formula_sum 'C' _cell_length_a 4.525 _cell_length_b 5.334 _cell_length_c 5.925 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 143.008 _exptl_crystal_density_diffrn 2.231 _symmetry_space_group_name_H-M 'C m m m' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,z' 'x,-y,z' '1/2+x,1/2-y,z' '-x,y,-z' '1/2-x,1/2+y,-z' '-x,y,z' '1/2-x,1/2+y,z' 'x,-y,-z' '1/2+x,1/2-y,-z' 'x,y,-z' '1/2+x,1/2+y,-z' '-x,-y,z' '1/2-x,1/2-y,z' '-x,-y,-z' '1/2-x,1/2-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z C1 0.00000 0.13820 0.23030 C2 0.25000 0.00000 0.12300