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#------------------------------------------------------------------------------
#$Date: 2015-07-23 06:54:04 +0300 (Thu, 23 Jul 2015) $
#$Revision: 3607 $
#$URL: svn://www.crystallography.net/cod-tools/tests/inputs/1011060-graphite.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_1011060
_chemical_name_systematic 'Carbon'
_chemical_name_mineral 'Graphite 2H'
_chemical_compound_source 'from Kropfm}hl, Bavaria'
_chemical_formula_structural 'C'
_chemical_formula_sum ''
_publ_section_title 'Ueber die Kristallstruktur des Graphits.'
_publ_author_name 'Hassel, O'
_journal_name_full 'Zeitschrift fuer Physik'
_journal_coden_ASTM ZEPYAA
_journal_volume 25
_journal_year 1924
_journal_page_first 317
_journal_page_last 337
_cell_length_a 2.47
_cell_length_b 2.47
_cell_length_c 6.79
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 35.9
_cell_formula_units_Z 4
_exptl_crystal_density_meas 2.16
_symmetry_space_group_name_H-M 'P 63 m c'
_symmetry_Int_Tables_number 186
_symmetry_cell_setting hexagonal
loop_
_symmetry_equiv_pos_as_xyz
'x,y,z'
'-y,x-y,z'
'y-x,-x,z'
'-y,-x,z'
'y-x,y,z'
'x,x-y,z'
'-x,-y,1/2+z'
'y,y-x,1/2+z'
'x-y,x,1/2+z'
'y,x,1/2+z'
'x-y,-y,1/2+z'
'-x,y-x,1/2+z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
C0 0.000
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 a 0. 0. 0. 1. 0 d
C2 C0 2 b 0.3333 0.6667 0.005(5) 1. 0 d
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