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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/7/22/36/7223685.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_7223685
loop_
_publ_author_name
'Poettgen, R.'
'Jeitschko, W.'
'Wortmann, U.'
'Danebrock, M.E.'
_publ_section_title
;
 Crystal structures and physical properties of the ternary carbides Sc
 T1-x C2 (T= Fe, Co, Ni)
;
_journal_name_full               'Journal of Materials Chemistry'
_journal_page_first              633
_journal_page_last               637
_journal_volume                  2
_journal_year                    1992
_chemical_formula_sum            'C2 Fe0.88 Sc'
_chemical_name_systematic        'Fe0.88 Sc C2'
_space_group_IT_number           129
_symmetry_space_group_name_Hall  'P 4ab 2ab -1ab'
_symmetry_space_group_name_H-M   'P 4/n m m :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   3.284
_cell_length_b                   3.284
_cell_length_c                   7.488
_cell_volume                     80.756
_citation_journal_id_ASTM        JMACEP
_cod_data_source_file            Poettgen_JMACEP_1992_787.cif
_cod_data_source_block           C2Fe0.88Sc1
_cod_original_cell_volume        80.7555
_cod_original_sg_symbol_Hall     '-P 4a 2a (x-1/4,y+1/4,z)'
_cod_original_formula_sum        'C2 Fe0.88 Sc1'
_cod_database_code               7223685
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y+1/2,x+1/2,z
-x,-y,z
y+1/2,-x+1/2,z
x+1/2,-y+1/2,-z
y,x,-z
-x+1/2,y+1/2,-z
-y,-x,-z
-x+1/2,-y+1/2,-z
y,-x,-z
x+1/2,y+1/2,-z
-y,x,-z
-x,y,z
-y+1/2,-x+1/2,z
x,-y,z
y+1/2,x+1/2,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
Sc1 Sc 0 0.5 0.3462 1 0.0
Fe1 Fe 0 0 0 0.88 0.0
C1 C 0 0.5 0.8269 1 0.0
C2 C 0 0.5 0.6427 1 0.0
