#------------------------------------------------------------------------------
#$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $
#$Revision: 176729 $
#$URL: svn://www.crystallography.net/cod/cif/1/51/14/1511415.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_1511415
loop_
_publ_author_name
'Khan, Y.'
_publ_section_title
;
 New b.c.c. three-dimensional A2-type Zr2-xFe14-ySiyBz superstructures
;
_journal_name_full
'Physica Status Solidi, Sectio A: Applied Research'
_journal_page_first              7
_journal_page_last               12
_journal_volume                  130
_journal_year                    1992
_chemical_formula_sum            'B0.96 Fe11.16 Si1.88 Zr1.99'
_chemical_name_systematic        'Zr1.99 Fe11.16 Si1.88 B0.96'
_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                   5.852
_cell_length_b                   5.852
_cell_length_c                   5.852
_cell_volume                     200.407
_citation_journal_id_ASTM        PSSABA
_cod_data_source_file            boron0-1_56.cif
_cod_data_source_block           B0.96Fe11.16Si1.88Zr1.99
_cod_original_cell_volume        200.4071
_cod_database_code               1511415
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
Fe1 Fe 0 0 0 0.5 0.0
Fe2 Fe 0 0.5 0.5 0.6667 0.0
B1 B 0.31 0.31 0.31 0.12 0.0
Si1 Si 0 0 0 0.5 0.0
Fe3 Fe 0.31 0.31 0.31 0.77 0.0
Zr1 Zr 0 0.5 0.5 0.3333 0.0
Si2 Si 0.31 0.31 0.31 0.11 0.0
