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#$Date: 2013-05-02 22:19:56 +0300 (Thu, 02 May 2013) $
#$Revision: 84509 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/51/11/1511153.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_1511153
loop_
_publ_author_name
'Aronsson, B.'
'Engstroem, I.'
'Lundstroem, T.'
_publ_section_title
;
 Some aspects of the crystal chemistry of borides, boro-carbides and
 silicides of the transition metals
;
_journal_name_full
;
Anisotropy in single-crystal refractory compounds, Proceedings of an
 international symposium
;
_journal_page_first              3
_journal_page_last               22
_journal_volume                  1
_journal_year                    1968
_chemical_formula_sum            'B Fe2'
_chemical_name_systematic        'Fe2 B'
_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                   5.109
_cell_length_b                   5.109
_cell_length_c                   4.249
_cell_volume                     110.907
_citation_journal_id_ASTM        ASCRCL
_[local]_cod_data_source_file    boron0-1_255.cif
_[local]_cod_data_source_block   B1Fe2
_[local]_cod_chemical_formula_sum_orig 'B1 Fe2'
_cod_original_cell_volume        110.9069
_cod_database_code               1511153
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
B1 B 0 0 0.25 1 0.0
Fe1 Fe 0.1661 0.6661 0 1 0.0