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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/1/53/61/1536114.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_1536114
loop_
_publ_author_name
'Vogt, C.'
'Hoffmann, R.D.'
'Poettgen, R.'
_publ_section_title
;
 The Superstructure of Sc3 Rh C4 and Sc3 Ir C4
;
_journal_name_full               'Solid State Sciences'
_journal_page_first              1003
_journal_page_last               1009
_journal_volume                  7
_journal_year                    2005
_chemical_formula_sum            'C4 Ir Sc3'
_chemical_name_systematic        'Sc3 Ir C4'
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 105.35
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.5996
_cell_length_b                   12.241
_cell_length_c                   5.5994
_cell_volume                     370.118
_citation_journal_id_ASTM        SSSCFJ
_cod_data_source_file            Vogt_SSSCFJ_2005_1950.cif
_cod_data_source_block           C4Ir1Sc3
_cod_original_cell_volume        370.1175
_cod_original_formula_sum        'C4 Ir1 Sc3'
_cod_database_code               1536114
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z
-x,-y,-z
x,-y,z
x+1/2,y+1/2,z
-x+1/2,y+1/2,-z
-x+1/2,-y+1/2,-z
x+1/2,-y+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
C1 C 0.9192 0.3709 0.0813 1 0.0
C2 C 0.9185 0.1281 0.5816 1 0.0
Sc2 Sc 0 0.18953 0 1 0.0
Sc3 Sc 0 0.30846 0.5 1 0.0
Sc1 Sc 0.761 0 0.2379 1 0.0
Ir1 Ir 0.27099 0 0.27124 1 0.0
