#------------------------------------------------------------------------------
#$Date: 2024-05-16 09:36:09 +0300 (Thu, 16 May 2024) $
#$Revision: 291877 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/22/9012243.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_9012243
loop_
_publ_author_name
'Fayos, J.'
_publ_section_title
;
 Possible 3D carbon structures as progressive intermediates in graphite
 to diamond phase transition
 Note: mathematical model, phase: diamond(cub)
;
_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           Diamond
_space_group_IT_number           227
_symmetry_space_group_name_Hall  'F 4d 2 3 -1d'
_symmetry_space_group_name_H-M   'F d -3 m :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   3.567
_cell_length_b                   3.567
_cell_length_c                   3.567
_cell_formula_units_Z            8
_cell_volume                     45.385
_database_code_amcsd             0013991
_exptl_crystal_density_diffrn    3.516
_cod_original_sg_symbol_H-M      'F d -3 m'
_cod_struct_determination_method theoretical
_cod_database_code               9012243
loop_
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1/2+x,y,1/2+z
1/2+x,1/2+y,z
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3/4+z,1/4-x,3/4+y
1/4+z,3/4-x,3/4+y
1/4+z,1/4-x,1/4+y
-y,1/2+z,1/2-x
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3/4+x,1/4-y,3/4+z
1/4+x,3/4-y,3/4+z
1/4+x,1/4-y,1/4+z
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1/2-z,1/2+x,-y
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3/4+y,1/4-z,3/4+x
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1/4-y,1/4-x,1/4-z
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3/4-y,1/4-x,3/4-z
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1/4+z,3/4+x,3/4-y
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3/4+x,3/4+y,1/4-z
1/4+x,1/4+y,1/4-z
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1/4+y,1/4-x,1/4+z
3/4+y,3/4-x,1/4+z
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3/4-z,3/4-x,1/4-y
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1/2+y,z,1/2+x
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1/4-x,3/4-y,3/4-z
3/4-x,1/4-y,3/4-z
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loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C 0.00000 0.00000 0.00000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0013991
