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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/7/22/26/7222613.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_7222613
loop_
_publ_author_name
'Mishra, R.'
'Kotzyba, G.'
'Poettgen, R.'
_publ_section_title
;
 New metal-rich compounds Nb Ir Si, Nb Ir Ge, and Ta Ir Si synthesis,
 structure and magnetic properties
;
_journal_name_full
;
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische 
Chemie (42,1987-)
;
_journal_page_first              463
_journal_page_last               468
_journal_volume                  56
_journal_year                    2001
_chemical_formula_sum            'Ir Si Ta'
_chemical_name_systematic        'Ta Ir Si'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.3811
_cell_length_b                   3.7869
_cell_length_c                   7.2678
_cell_volume                     175.623
_citation_journal_id_ASTM        ZNBSEN
_cod_data_source_file            Mishra_ZNBSEN_2001_227.cif
_cod_data_source_block           Ir1Si1Ta1
_cod_original_cell_volume        175.6234
_cod_original_formula_sum        'Ir1 Si1 Ta1'
_cod_database_code               7222613
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z+1/2
-x,y+1/2,-z
-x,-y,-z
x-1/2,y,-z-1/2
-x-1/2,y-1/2,z-1/2
x,-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
Si1 Si 0.7327 0.25 0.3772 1 0.0
Ta1 Ta 0.97618 0.25 0.6721 1 0.0
Ir1 Ir 0.35459 0.25 0.43558 1 0.0
