#------------------------------------------------------------------------------
#$Date: 2016-01-01 13:14:38 +0200 (Fri, 01 Jan 2016) $
#$Revision: 172039 $
#$URL: svn://www.crystallography.net/cod/cif/1/54/08/1540874.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_1540874
loop_
_publ_author_name
'von Stackelberg, M.'
'Schnorrenberg, E.'
_publ_section_title
;
 Die Struktur des Aluminiumcarbids
;
_journal_name_full
;
Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der 
Elementarprozesse, Aufbau der Materie
;
_journal_page_first              37
_journal_page_last               49
_journal_volume                  27
_journal_year                    1934
_chemical_formula_sum            'C3 Al4'
_chemical_name_systematic        'Al4 C3'
_space_group_IT_number           166
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   3.329
_cell_length_b                   3.329
_cell_length_c                   24.98
_cell_volume                     239.746
_citation_journal_id_ASTM        ZPCBAL
_cod_data_source_file            vonStackelberg_ZPCBAL_1934_436.cif
_cod_data_source_block           C3Al4
_cod_original_cell_volume        239.7456
_cod_database_code               1540874
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
y,x,-z
-x,-x+y,-z
x-y,-y,-z
-x,-y,-z
y,-x+y,-z
x-y,x,-z
-y,-x,z
x,x-y,z
-x+y,y,z
x+2/3,y+1/3,z+1/3
-y+2/3,x-y+1/3,z+1/3
-x+y+2/3,-x+1/3,z+1/3
y+2/3,x+1/3,-z+1/3
-x+2/3,-x+y+1/3,-z+1/3
x-y+2/3,-y+1/3,-z+1/3
-x+2/3,-y+1/3,-z+1/3
y+2/3,-x+y+1/3,-z+1/3
x-y+2/3,x+1/3,-z+1/3
-y+2/3,-x+1/3,z+1/3
x+2/3,x-y+1/3,z+1/3
-x+y+2/3,y+1/3,z+1/3
x+1/3,y+2/3,z+2/3
-y+1/3,x-y+2/3,z+2/3
-x+y+1/3,-x+2/3,z+2/3
y+1/3,x+2/3,-z+2/3
-x+1/3,-x+y+2/3,-z+2/3
x-y+1/3,-y+2/3,-z+2/3
-x+1/3,-y+2/3,-z+2/3
y+1/3,-x+y+2/3,-z+2/3
x-y+1/3,x+2/3,-z+2/3
-y+1/3,-x+2/3,z+2/3
x+1/3,x-y+2/3,z+2/3
-x+y+1/3,y+2/3,z+2/3
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
Al2 Al+3 0 0 0.128 1 0.0
C2 C-4 0 0 0.217 1 0.0
Al1 Al+3 0 0 0.293 1 0.0
C1 C-4 0 0 0 1 0.0
