#------------------------------------------------------------------------------
#$Date: 2015-07-10 22:56:27 +0300 (Fri, 10 Jul 2015) $
#$Revision: 143252 $
#$URL: svn://www.crystallography.net/cod/cif/2/31/02/2310255.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2310255
loop_
_publ_author_name
'Steadman, R.'
'Nuttall, P.M.'
_publ_section_title
;
 Chi phase in a niobium-rhenium alloy
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              62
_journal_page_last               63
_journal_volume                  17
_journal_year                    1964
_chemical_formula_sum            'Nb14.5 Re43.5'
_chemical_name_systematic        '(Nb Re3)14.5'
_space_group_IT_number           217
_symmetry_space_group_name_Hall  'I -4 2 3'
_symmetry_space_group_name_H-M   'I -4 3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   9.693
_cell_length_b                   9.693
_cell_length_c                   9.693
_cell_volume                     910.699
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            Steadman_ACCRA9_1964_1377.cif
_cod_data_source_block           Nb14.5Re43.5
_cod_original_cell_volume        910.6985
_cod_database_code               2310255
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
y,-x,-z
-x,-y,z
-y,x,-z
x,-y,-z
-y,-x,z
-x,y,-z
y,x,z
z,x,y
x,-z,-y
-z,-x,y
-x,z,-y
z,-x,-y
-x,-z,y
-z,x,-y
x,z,y
y,z,x
y,-z,-x
-z,-y,x
-y,z,-x
z,y,x
-y,-z,x
-z,y,-x
z,-y,-x
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+1/2
-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
z+1/2,x+1/2,y+1/2
x+1/2,-z+1/2,-y+1/2
-z+1/2,-x+1/2,y+1/2
-x+1/2,z+1/2,-y+1/2
z+1/2,-x+1/2,-y+1/2
-x+1/2,-z+1/2,y+1/2
-z+1/2,x+1/2,-y+1/2
x+1/2,z+1/2,y+1/2
y+1/2,z+1/2,x+1/2
y+1/2,-z+1/2,-x+1/2
-z+1/2,-y+1/2,x+1/2
-y+1/2,z+1/2,-x+1/2
z+1/2,y+1/2,x+1/2
-y+1/2,-z+1/2,x+1/2
-z+1/2,y+1/2,-x+1/2
z+1/2,-y+1/2,-x+1/2
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
Re2 Re 0.096 0.096 0.277 1 0.0
Nb2 Nb 0.314 0.314 0.314 1 0.0
Nb3 Nb 0.36 0.36 0.04 0.188 0.0
Re1 Re 0.36 0.36 0.04 0.812 0.0
Nb1 Nb 0 0 0 1 0.0
