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#$Date: 2016-02-13 20:28:24 +0100 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/15/1531573.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_1531573
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            'Rh Sb2 Ti5'
_chemical_name_systematic        'Ti5 Rh Sb2'
_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                   10.486
_cell_length_b                   10.486
_cell_length_c                   5.314
_cell_volume                     584.307
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Kaiser_ZAACAB_2002_1032.cif
_cod_data_source_block           Rh1Sb2Ti5
_cod_original_cell_volume        584.3073
_cod_original_formula_sum        'Rh1 Sb2 Ti5'
_cod_database_code               1531573
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
Ti1 Ti 0.0692 0.2105 0 1 0.0
Ti2 Ti 0 0.5 0.25 1 0.0
Rh1 Rh 0 0 0.25 1 0.0
Sb1 Sb 0.1635 0.6635 0 1 0.0
