#------------------------------------------------------------------------------
#$Date: 2023-04-06 15:31:51 +0300 (Thu, 06 Apr 2023) $
#$Revision: 282478 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/10/00/1100003.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1100003
loop_
_publ_author_name
'Lipson, H.'
'Stokes, A. R.'
_publ_section_title
;
 The Structure of Graphite
;
_journal_coden_ASTM              PRLAAZ
_journal_issue                   984
_journal_name_full
;
 Proceedings of the Royal Society A: Mathematical, Physical
 and Engineering Sciences
;
_journal_page_first              101
_journal_page_last               105
_journal_paper_doi               10.1098/rspa.1942.0063
_journal_volume                  181
_journal_year                    1942
_chemical_formula_structural     C4
_chemical_formula_sum            C
_chemical_name_mineral           'Graphite 2H'
_chemical_name_systematic        Carbon
_space_group_IT_number           166
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  '-P 3* 2'
_symmetry_space_group_name_H-M   'R -3 m :R'
_cell_angle_alpha                39.49
_cell_angle_beta                 39.49
_cell_angle_gamma                39.49
_cell_formula_units_Z            2
_cell_length_a                   3.635
_cell_length_b                   3.635
_cell_length_c                   3.635
_cell_volume                     17.5
_database_code_amcsd             0015334
_cod_duplicate_entry             1200018
_cod_original_sg_symbol_H-M      'R -3 m R'
_cod_database_code               1100003
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
y,x,z
y,z,x
x,z,y
z,x,y
z,y,x
-x,-y,-z
-y,-x,-z
-y,-z,-x
-x,-z,-y
-z,-x,-y
-z,-y,-x
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
C1 C0 2 c 0.164 0.164 0.164 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
C0 0.000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0015334
