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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/1/53/94/1539420.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_1539420
loop_
_publ_author_name
'Yoder-Short, D.R.'
'Debska, U.'
'Furdyna, J.K.'
_publ_section_title
;
 Lattice parameters of Zn1-x Mnx Se and tetrahedral bond lengths in
 A(II)(1-x) Mnx B(IV) alloys
;
_journal_name_full               'Journal of Applied Physics'
_journal_page_first              4056
_journal_page_last               4060
_journal_volume                  58
_journal_year                    1985
_chemical_formula_sum            'Mn0.05 Se Zn0.95'
_chemical_name_systematic        'Zn0.950 Mn0.05 Se'
_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                   5.6721
_cell_length_b                   5.6721
_cell_length_c                   5.6721
_cell_volume                     182.487
_citation_journal_id_ASTM        JAPIAU
_cod_data_source_file            Yoder-Short_JAPIAU_1985_946.cif
_cod_data_source_block           Mn0.05Se1Zn0.95
_cod_original_cell_volume        182.4869
_cod_original_formula_sum        'Mn0.05 Se1 Zn0.95'
_cod_database_code               1539420
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
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z,x+1/2,y+1/2
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y+1/2,z+1/2,x
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-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
Mn1 Mn+2 0.25 0.25 0.25 0.05 0.0
Se1 Se-2 0 0 0 1 0.0
Zn1 Zn+2 0.25 0.25 0.25 0.95 0.0
