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#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/63/1526338.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_1526338
loop_
_publ_author_name
'Rawn, C.J.'
'Barsoum, M.W.'
'El-Raghy, T.'
'Procipio, A.'
'Hubbard, C.R.'
'Hoffmann, C.M.'
_publ_section_title
;
 Structure of Ti4 Al N3 - a layered Mn+1 A Xn nitride
;
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              1785
_journal_page_last               1796
_journal_volume                  35
_journal_year                    2000
_chemical_formula_sum            'Al N3 Ti4'
_chemical_name_systematic        'Ti4 Al N3'
_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_formula_units_Z            2
_cell_length_a                   2.991
_cell_length_b                   2.991
_cell_length_c                   23.396
_cell_volume                     181.261
_citation_journal_id_ASTM        MRBUAC
_cod_data_source_file            Rawn_MRBUAC_2000_304.cif
_cod_data_source_block           Al1N3Ti4
_cod_original_cell_volume        181.2613
_cod_original_formula_sum        'Al1 N3 Ti4'
_cod_database_code               1526338
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
-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
Al1 Al 0.3333 0.6667 0.25 1 0.0
N1 N 0 0 0 1 0.0
Ti2 Ti 0 0 0.1547 1 0.0
Ti1 Ti 0.3333 0.6667 0.0542 1 0.0
N2 N 0.6667 0.3333 0.10496 1 0.0
