#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/54/10/1541065.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_1541065
loop_
_publ_author_name
'Tsokol', A.O.'
'Bodak, O.I.'
'Marusin, E.P.'
'Baivel'man, M.G.'
_publ_section_title
;
 Crystal structure of the compound Sc Al3 C3
;
_journal_name_full
'Soviet Physics, Crystallography (= Kristallografiya)'
_journal_page_first              467
_journal_page_last               468
_journal_volume                  31
_journal_year                    1986
_chemical_formula_sum            'C3 Al3 Sc'
_chemical_name_systematic        'Al3 Sc C3'
_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                   3.355
_cell_length_b                   3.355
_cell_length_c                   16.776
_cell_volume                     163.533
_citation_journal_id_ASTM        SPHCA6
_cod_data_source_file            Tsokol_SPHCA6_1986_1330.cif
_cod_data_source_block           C3Al3Sc1
_cod_original_cell_volume        163.5325
_cod_original_formula_sum        'C3 Al3 Sc1'
_cod_database_code               1541065
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
C2 C-4 0.3333 0.6667 0.25 1 0.0
C1 C-4 0.3333 0.6667 0.5876 1 0.0
Sc1 Sc+3 0 0 0 1 0.0
Al1 Al+3 0.3333 0.6667 0.1293 1 0.0
Al2 Al+3 0.3333 0.6667 0.75 1 0.0
