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#$Date: 2016-02-16 21:30:59 +0100 (Tue 16 de Feb de 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/00/17/4001734.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_4001734
loop_
_publ_author_name
'Jung, W.'
'Nagelschmitz, E.A.'
_publ_section_title
;
 Scandium iridium boride Sc3 Ir5 B2 and the quaternary derivatives Sc2 M
 Ir5 B2 with M = Be, Al, Si, Ti, V, Cr, Mn, Fe, Co, Ni, Cu, Ga or Ge :
 preparation, crystal structure and physical properties
;
_journal_name_full               'Chemistry of Materials (1,1989-)'
_journal_page_first              3189
_journal_page_last               3195
_journal_volume                  10
_journal_year                    1998
_chemical_formula_sum            'B2 Ir5 Sc2 Si'
_chemical_name_systematic        'Sc2 Si Ir5 B2'
_space_group_IT_number           127
_symmetry_space_group_name_Hall  '-P 4 2ab'
_symmetry_space_group_name_H-M   'P 4/m b m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.227
_cell_length_b                   9.227
_cell_length_c                   3.069
_cell_volume                     261.287
_citation_journal_id_ASTM        CMATEX
_cod_data_source_file            boron_216.cif
_cod_data_source_block           B2Ir5Sc2Si1
_cod_original_cell_volume        261.2871
_cod_original_formula_sum        'B2 Ir5 Sc2 Si1'
_cod_database_code               4001734
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x,z
-x,-y,z
y,-x,z
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
-x,-y,-z
y,-x,-z
x,y,-z
-y,x,-z
-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
B1 B 0.123 0.623 0 1 0.0
Si1 Si 0 0 0 1 0.0
Sc1 Sc 0.3252 0.8252 0 1 0.0
Ir1 Ir 0.2121 0.0698 0.5 1 0.0
Ir2 Ir 0 0.5 0.5 1 0.0
