#------------------------------------------------------------------------------
#$Date: 2015-10-10 06:23:47 +0300 (Sat, 10 Oct 2015) $
#$Revision: 164677 $
#$URL: svn://www.crystallography.net/cod/cif/8/10/41/8104152.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_8104152
loop_
_publ_author_name
'Evers, C.B.H.'
'Jeitschko, W.'
_publ_section_title
;
 Crystal structure of tetrazirconium tetrairon heptasilicide Zr4 Fe4 Si7
;
_journal_name_full
'Zeitschrift fuer Kristallographie (149,1979-)'
_journal_page_first              119
_journal_page_last               119
_journal_volume                  211
_journal_year                    1996
_chemical_formula_sum            'Fe4 Si7 Zr4'
_chemical_name_systematic        'Zr4 Fe4 Si7'
_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            4
_cell_length_a                   13.056
_cell_length_b                   13.056
_cell_length_c                   5.09
_cell_volume                     867.637
_citation_journal_id_ASTM        ZEKRDZ
_cod_data_source_file            Evers_ZEKRDZ_1996_1884.cif
_cod_data_source_block           Fe4Si7Zr4
_cod_database_code               8104152
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
Si2 Si-4 0.2978 0 0 1 0.0
Fe1 Fe+3 0.14823 0.64823 0.25 1 0.0
Zr1 Zr+4 0.1381 0.1381 0 1 0.0
Si4 Si-4 0 0 0.251 1 0.0
Zr2 Zr+4 0.3032 0.5 0 1 0.0
Si3 Si-4 0.9099 0.5 0 1 0.0
Si1 Si-4 0.2905 0.2905 0 1 0.0
