#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/73/1537347.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_1537347
loop_
_publ_author_name
'Grass, V.E.'
'Sitnikov, P.A.'
'Ryabkov, Yu.I.'
'Goldin, B.A.'
_publ_section_title
;
 X-ray diffraction study of the aluminium monoxycarbide
;
_journal_name_full
'Zhurnal Strukturnoi Khimii (Issue-No. from 1981)'
_journal_page_first              103
_journal_page_last               109
_journal_volume                  45
_journal_year                    2004
_chemical_formula_sum            'C Al2 O'
_chemical_name_systematic        'Al2 O C'
_space_group_IT_number           186
_symmetry_space_group_name_Hall  'P 6c -2c'
_symmetry_space_group_name_H-M   'P 63 m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   3.2
_cell_length_b                   3.2
_cell_length_c                   5.1
_cell_volume                     45.227
_citation_journal_id_ASTM        ZSTKAI
_cod_data_source_file            Grass_ZSTKAI_2004_520.cif
_cod_data_source_block           C1Al2O1
_cod_original_cell_volume        45.22731
_cod_original_formula_sum        'C1 Al2 O1'
_cod_database_code               1537347
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x-y,x,z+1/2
-y,x-y,z
-x,-y,z+1/2
-x+y,-x,z
y,-x+y,z+1/2
y,x,z+1/2
-x+y,y,z
-x,-x+y,z+1/2
-y,-x,z
x-y,-y,z+1/2
x,x-y,z
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
C1 C-4 0.3333 0.6667 0.516 0.25 0.0
C2 C-4 0.3333 0.6667 0.484 0.25 0.0
O2 O-2 0.3333 0.6667 0.484 0.25 0.0
Al2 Al+3 0.3333 0.6667 0.091 0.5 0.0
Al1 Al+3 0.3333 0.6667 0.909 0.5 0.0
O1 O-2 0.3333 0.6667 0.516 0.25 0.0
