#------------------------------------------------------------------------------
#$Date: 2023-11-11 18:50:47 +0100 (Sat 11 de Nov de 2023) $
#$Revision: 287550 $
#$URL: svn://www.crystallography.net/cod/cif/9/01/24/9012470.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_9012470
loop_
_publ_author_name
'Bundy, F. P.'
'Kasper, J. S.'
_publ_section_title
;
 Hexagonal diamond-a new form of carbon
;
_journal_name_full               'Journal of Chemical Physics'
_journal_page_first              3437
_journal_page_last               3446
_journal_volume                  46
_journal_year                    1967
_chemical_formula_sum            C
_chemical_name_mineral           Lonsdaleite
_space_group_IT_number           194
_symmetry_space_group_name_Hall  '-P 6c 2c'
_symmetry_space_group_name_H-M   'P 63/m m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   2.52
_cell_length_b                   2.52
_cell_length_c                   4.12
_cell_formula_units_Z            4
_cell_volume                     22.658
_exptl_crystal_density_diffrn    3.521
_cod_database_code               9012470
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-x+y,1/2+z
x,x-y,1/2-z
-x+y,-x,1/2-z
x-y,x,1/2+z
-y,-x,z
y,x,-z
y,-x+y,-z
-y,x-y,z
x-y,-y,1/2+z
-x+y,y,1/2-z
x,y,1/2-z
-x,-y,1/2+z
x,x-y,z
-x,-x+y,-z
x-y,x,-z
-x+y,-x,z
y,x,1/2+z
-y,-x,1/2-z
-y,x-y,1/2-z
y,-x+y,1/2+z
-x+y,y,z
x-y,-y,-z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C 0.33333 0.66667 0.06250
_journal_paper_doi 10.1063/1.1841236
_database_code_amcsd 0012989
