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#$Date: 2016-02-13 14:50:18 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176428 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/31/04/2310414.cif $
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#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# 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_2310414
loop_
_publ_author_name
'Jeffrey, G.A.'
'Wu, V.Y.'
_publ_section_title
;
 The structures of the aluminum carbonitrides. II
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              538
_journal_page_last               547
_journal_volume                  20
_journal_year                    1966
_chemical_formula_sum            'C3 Al4'
_chemical_name_systematic        'Al4 C3'
_space_group_IT_number           160
_symmetry_space_group_name_Hall  'P 3* -2'
_symmetry_space_group_name_H-M   'R 3 m :R'
_cell_angle_alpha                22.54
_cell_angle_beta                 22.54
_cell_angle_gamma                22.54
_cell_formula_units_Z            1
_cell_length_a                   8.52
_cell_length_b                   8.52
_cell_length_c                   8.52
_cell_volume                     79.718
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            Jeffrey_ACCRA9_1966_1122.cif
_cod_data_source_block           C3Al4
_cod_original_cell_volume        79.71757
_cod_original_sg_symbol_Hall     'R 3 -2" (-y+z,x+z,-x+y+z)'
_cod_database_code               2310414
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
z,x,y
y,z,x
y,x,z
z,y,x
x,z,y
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Al1 Al 0.705 0.705 0.705 1 0.0
C2 C 0.781 0.781 0.781 1 0.0
Al2 Al 0.129 0.129 0.129 1 0.0
Al4 Al 0.296 0.296 0.296 1 0.0
C3 C 0.217 0.217 0.217 1 0.0
C1 C 0 0 0 1 0.0
Al3 Al 0.869 0.869 0.869 1 0.0