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#$Date: 2016-02-14 15:26:36 +0100 (dom 14 de feb de 2016) $
#$Revision: 176435 $
#$URL: svn://www.crystallography.net/cod/cif/1/51/11/1511184.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_1511184
loop_
_publ_author_name
'Zhang, B.-S.'
'Du Honglin'
'Zhang, Z.-D.'
'Yang, J.-L.'
'Zhang, D.'
'Chuang, Y.C.'
_publ_section_title
;
 Neutron diffraction study of the boride Y (Fe11.04 Ti0.52 B0.43) Ti0.39:
 a new phase of a ThMn12-type intermatallic interstitial compound
;
_journal_name_full               'Journal of Physics: Condensed Matter'
_journal_page_first              2587
_journal_page_last               2592
_journal_paper_doi               10.1088/0953-8984/7/13/008
_journal_volume                  7
_journal_year                    1995
_chemical_formula_sum            'B0.43 Fe11.04 Ti0.91 Y'
_chemical_name_systematic        'Y (Fe3.04 Ti0.52 B0.43) Fe8 Ti0.39'
_space_group_IT_number           139
_symmetry_space_group_name_Hall  '-I 4 2'
_symmetry_space_group_name_H-M   'I 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   8.509
_cell_length_b                   8.509
_cell_length_c                   4.808
_cell_volume                     348.114
_citation_journal_id_ASTM        JCOMEL
_cod_data_source_file            boron0-1_29.cif
_cod_data_source_block           B0.43Fe11.04Ti0.91Y1
_cod_original_formula_sum        'B0.43 Fe11.04 Ti0.91 Y1'
_cod_database_code               1511184
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
-x,-y,-z
y,-x,-z
x,y,-z
-y,x,-z
-x,y,z
-y,-x,z
x,-y,z
y,x,z
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
-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
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
Fe1 Fe 0.3561 0 0 0.7612 0.0
Ti2 Ti 0 0 0.5 0.39 0.0
B1 B 0.3561 0 0 0.1087 0.0
Fe3 Fe 0.25 0.25 0.25 1 0.0
Y1 Y 0 0 0 1 0.0
Ti1 Ti 0.3561 0 0 0.1312 0.0
Fe2 Fe 0.277 0.5 0 1 0.0
