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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/53/1525302.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_1525302
loop_
_publ_author_name
'Skinner, B.J.'
_publ_section_title
;
 Unit-cell edges of natural and synthetic sphalerites
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1399
_journal_page_last               1411
_journal_volume                  46
_journal_year                    1961
_chemical_formula_sum            'Fe0.2 Mn0.05 S Zn0.75'
_chemical_name_systematic        '(Fe0.2 Mn0.05 Zn0.75) S'
_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            4
_cell_length_a                   5.4272
_cell_length_b                   5.4272
_cell_length_c                   5.4272
_cell_volume                     159.855
_citation_journal_id_ASTM        AMMIAY
_cod_data_source_file            Skinner_AMMIAY_1961_1975.cif
_cod_data_source_block           Fe0.2Mn0.05S1Zn0.75
_cod_original_cell_volume        159.8555
_cod_original_formula_sum        'Fe0.2 Mn0.05 S1 Zn0.75'
_cod_database_code               1525302
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
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-x,z,-y
z,-x,-y
-x,-z,y
-z,x,-y
x,z,y
y,z,x
y,-z,-x
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z,y,x
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x,y+1/2,z+1/2
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y,x+1/2,z+1/2
z,x+1/2,y+1/2
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x,z+1/2,y+1/2
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z,y+1/2,x+1/2
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x+1/2,-y,-z+1/2
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-x+1/2,y,-z+1/2
y+1/2,x,z+1/2
z+1/2,x,y+1/2
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z+1/2,y,x+1/2
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z+1/2,-x+1/2,-y
-x+1/2,-z+1/2,y
-z+1/2,x+1/2,-y
x+1/2,z+1/2,y
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
-y+1/2,-z+1/2,x
-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
S1 S-2 0.25 0.25 0.25 1 0.0
Mn1 Mn+2 0 0 0 0.05 0.0
Zn1 Zn+2 0 0 0 0.75 0.0
Fe1 Fe+2 0 0 0 0.2 0.0
