data_2310415
_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 Al5 N'
_chemical_name_systematic        'Al5 C3 N'
_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            2
_cell_length_a                   3.281
_cell_length_b                   3.281
_cell_length_c                   21.67
_cell_volume                     202.024
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            Jeffrey_ACCRA9_1966_1123.cif
_cod_data_source_block           C3Al5N1
_cod_original_cell_volume        202.0235
_cod_chemical_formula_sum_orig   'C3 Al5 N1'
_cod_database_code               2310415
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 0 0 0 1 0.0
Al2 Al 0 0 0.155 1 0.0
Al3 Al 0.3333 0.6667 0.261 1 0.0
Al1 Al 0.3333 0.6667 0.045 1 0.0
Al4 Al 0 0 0.345 1 0.0
N1 N 0.3333 0.6667 0.137 1 0.0
Al5 Al 0.3333 0.6667 0.455 1 0.0
C2 C 0 0 0.248 1 0.0
C3 C 0.3333 0.6667 0.367 1 0.0
