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#$Date: 2014-07-23 12:49:31 +0300 (Wed, 23 Jul 2014) $
#$Revision: 120677 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/00/05/4000575.cif $
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#
# 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_4000575
_journal_name_full   'Chemistry of Materials'
_journal_year       2005
_publ_section_title
;
Ytterbium chromium antimonide, YbCr~3~Sb~3~
;
loop_
_publ_author_name
'Crerar, Shane J.'
'Deakin, Laura'
'Mar, Arthur'
_chemical_name_systematic         'ytterbium chromium triantimonide'
_chemical_name_common             'ytterbium chromium antimonide'
_chemical_formula_sum             'Cr Sb3 Yb'
_chemical_formula_structural      'Yb Cr Sb3'
_chemical_formula_weight          590.29
_symmetry_cell_setting            orthorhombic
_symmetry_space_group_name_H-M    'P b c m'
_symmetry_space_group_name_Hall   '-P 2c 2b'
loop_
 _symmetry_equiv_pos_as_xyz
 'x, y, z'
 '-x, -y, z+1/2'
 '-x, y+1/2, -z+1/2'
 'x, -y+1/2, -z'
 '-x, -y, -z'
 'x, y, -z-1/2'
 'x, -y-1/2, z-1/2'
 '-x, y-1/2, z'
_cell_length_a                    12.981(3)
_cell_length_b                    6.1396(12)
_cell_length_c                    5.9926(12)
_cell_angle_alpha                 90.00
_cell_angle_beta                  90.00
_cell_angle_gamma                 90.00
_cell_volume                      477.60(16)
_cell_formula_units_Z             4
_cell_measurement_temperature     295(2)
_exptl_crystal_density_diffrn     8.209
loop_
 _atom_site_label
 _atom_site_type_symbol
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_U_iso_or_equiv
 _atom_site_adp_type
 _atom_site_occupancy
 _atom_site_symmetry_multiplicity
 _atom_site_calc_flag
 _atom_site_refinement_flags
 _atom_site_disorder_assembly
 _atom_site_disorder_group
Yb Yb 0.31066(6) 0.00136(11) 0.2500 0.0134(2) Uani 1 4 d S . .
Cr Cr 0.9018(2) 0.2500 0.0000 0.0120(5) Uani 1 4 d S . .
Sb1 Sb 0.06561(9) 0.11454(17) 0.2500 0.0127(3) Uani 1 4 d S . .
Sb2 Sb 0.22056(10) 0.48975(17) 0.2500 0.0131(3) Uani 1 4 d S . .
Sb3 Sb 0.50211(8) 0.2500 0.0000 0.0132(3) Uani 1 4 d S . .
_cod_database_code 4000575
_journal_paper_doi 10.1021/cm0506151