data_9012233
_publ_section_title
;
 Possible 3D carbon structures as progressive intermediates in graphite
 to diamond phase transition
 Note: mathematical model, phase: gra_crbl43_ch
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              278
_journal_page_last               285
_journal_paper_doi               10.1006/jssc.1999.8448
_journal_volume                  148
_journal_year                    1999
_chemical_formula_sum            C
_chemical_name_mineral           Graphite
_space_group_IT_number           54
_symmetry_space_group_name_Hall  '-P 2a 2ac'
_symmetry_space_group_name_H-M   'P c c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.700
_cell_length_b                   5.978
_cell_length_c                   4.448
_cell_volume                     124.974
_exptl_crystal_density_diffrn    2.553
_cod_database_code               9012233
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x,-y,1/2+z
-x,y,1/2-z
1/2-x,y,1/2+z
1/2+x,-y,1/2-z
1/2+x,y,-z
1/2-x,-y,z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 0.36130 0.24690 0.15890
C2 0.16140 0.12970 0.33570
