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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/4/03/16/4031645.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_4031645
loop_
_publ_author_name
'Bazakutsa, V.A.'
'Gnidash, N.I.'
'Lazarev, V.B.'
'Berul', S.I.'
'Salov, A.V.'
'Rogacheva, E.I.'
'Sukhorukova, L.N.'
'Vasil'eva, M.P.'
_publ_section_title
;
 Ternary (alkali-metal antimony) chalcogenides M Sb X2
;
_journal_name_full
;
Russian Journal of Inorganic Chemistry (= Zhurnal Neorganicheskoi Khimii)
;
_journal_page_first              1722
_journal_page_last               1725
_journal_volume                  18
_journal_year                    1973
_chemical_formula_sum            'Na Sb Se2'
_space_group_IT_number           225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.962
_cell_length_b                   5.962
_cell_length_c                   5.962
_cell_volume                     211.922
_citation_journal_id_ASTM        RJICAQ
_cod_data_source_file            Bazakutsa_RJICAQ_1973_811.cif
_cod_data_source_block           Na1Sb1Se2
_cod_original_cell_volume        211.9219
_cod_original_formula_sum        'Na1 Sb1 Se2'
_cod_database_code               4031645
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,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
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z,-y,x
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y,-x,-z
x,y,-z
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-x,y,z
-y,-x,z
x,-y,z
y,x,z
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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,y+1/2,z+1/2
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-x,-y+1/2,z+1/2
y,-x+1/2,z+1/2
x,-y+1/2,-z+1/2
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z,x+1/2,y+1/2
-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
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z+1/2,x,y+1/2
-x+1/2,z,y+1/2
-z+1/2,-x,y+1/2
x+1/2,-z,y+1/2
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y+1/2,z,x+1/2
y+1/2,-z,-x+1/2
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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
Na1 Na+1 0 0 0 0.5 0.0
Sb1 Sb+3 0 0 0 0.5 0.0
Se1 Se-2 0.5 0.5 0.5 1 0.0
