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#$Date: 2018-09-27 07:13:35 +0300 (Thu, 27 Sep 2018) $
#$Revision: 211196 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/10/61/2106102.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2106102
loop_
_publ_author_name
'Koster, A.S.'
'Schoone, J.C.'
_publ_section_title
;
 Structure of the cubic iron-zinc phase Fe22 Zn78
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              1905
_journal_page_last               1907
_journal_volume                  37
_journal_year                    1981
_chemical_formula_sum            'Fe11.68 Zn39.32'
_space_group_IT_number           216
_symmetry_space_group_name_Hall  'F -4 2 3'
_symmetry_space_group_name_H-M   'F -4 3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   17.963
_cell_length_b                   17.963
_cell_length_c                   17.963
_cell_volume                     5796.110
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Koster_ACBCAR_1981_132.cif
_cod_data_source_block           Fe11.68Zn39.32
_cod_original_cell_volume        5796.109
_cod_database_code               2106102
loop_
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x,y,z
y,-x,-z
-x,-y,z
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x,-y,-z
-y,-x,z
-x,y,-z
y,x,z
z,x,y
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y+1/2,z+1/2,x
y+1/2,-z+1/2,-x
-z+1/2,-y+1/2,x
-y+1/2,z+1/2,-x
z+1/2,y+1/2,x
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-z+1/2,y+1/2,-x
z+1/2,-y+1/2,-x
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 0.6014 0.6014 0.6014 1 0.0
Fe6 Fe 0.1615 0 0 1 0.0
Fe5 Fe 0.3317 0.3317 0.3317 0.67 0.0
Zn2 Zn 0.3317 0.3317 0.3317 0.33 0.0
Zn4 Zn 0.394 0 0 1 0.0
Zn3 Zn 0.8097 0.8097 0.8097 1 0.0
Fe4 Fe 0.1986 0.1986 0.1986 0.67 0.0
Zn6 Zn 0.1495 0.1495 0.9643 1 0.0
Zn5 Zn 0.0649 0.25 0.25 1 0.0
Fe2 Fe 0.9527 0.9527 0.9527 1 0.0
Zn7 Zn 0.1425 0.1425 0.4669 1 0.0
Zn1 Zn 0.1986 0.1986 0.1986 0.33 0.0
Fe3 Fe 0.0845 0.0845 0.0845 1 0.0
Zn9 Zn 0.0944 0.0944 0.2285 1 0.0
Zn10 Zn 0.0578 0.0578 0.7268 1 0.0
Zn8 Zn 0.2001 0.2001 0.588 1 0.0
