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#$Date: 2015-10-10 02:13:37 +0200 (Sat, 10 Oct 2015) $
#$Revision: 164015 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/63/1536341.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_1536341
loop_
_publ_author_name
'Kaiser, J.W.'
'Jeitschko, W.'
_publ_section_title
;
 Ternary transition metal antimonides T5 T'1-x Sb2+x (T = Ti, Zr, Hf; T'=
 Fe, Co, Ni, Cu, Ru, Rh, Pd, Cd) with Nb5 Si Sn2 (ordered W5 Si3, filled
 V4 Si Sb2) type structure
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              337
_journal_page_last               343
_journal_volume                  628
_journal_year                    2002
_chemical_formula_sum            'Fe0.67 Hf4.929 Sb2.33'
_chemical_name_systematic        'Hf4.929 Fe0.67 Sb2.33'
_space_group_IT_number           140
_symmetry_space_group_name_Hall  '-I 4 2c'
_symmetry_space_group_name_H-M   'I 4/m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.86
_cell_length_b                   10.86
_cell_length_c                   5.501
_cell_volume                     648.786
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Kaiser_ZAACAB_2002_349.cif
_cod_data_source_block           Fe0.67Hf4.929Sb2.33
_cod_original_cell_volume        648.7857
_cod_database_code               1536341
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x,z
-x,-y,z
y,-x,z
x,-y,-z+1/2
y,x,-z+1/2
-x,y,-z+1/2
-y,-x,-z+1/2
-x,-y,-z
y,-x,-z
x,y,-z
-y,x,-z
-x,y,z-1/2
-y,-x,z-1/2
x,-y,z-1/2
y,x,z-1/2
x+1/2,y+1/2,z+1/2
-y+1/2,x+1/2,z+1/2
-x+1/2,-y+1/2,z+1/2
y+1/2,-x+1/2,z+1/2
x+1/2,-y+1/2,-z+1
y+1/2,x+1/2,-z+1
-x+1/2,y+1/2,-z+1
-y+1/2,-x+1/2,-z+1
-x+1/2,-y+1/2,-z+1/2
y+1/2,-x+1/2,-z+1/2
x+1/2,y+1/2,-z+1/2
-y+1/2,x+1/2,-z+1/2
-x+1/2,y+1/2,z
-y+1/2,-x+1/2,z
x+1/2,-y+1/2,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
Sb1 Sb 0 0 0.25 0.35 0.0
Hf2 Hf 0 0.5 0.25 0.928 0.0
Fe1 Fe 0 0 0.25 0.65 0.0
Hf1 Hf 0.07486 0.21326 0 1 0.0
Sb2 Sb 0.16336 0.66336 0 1 0.0
