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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/1/53/94/1539482.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_1539482
loop_
_publ_author_name
'Vegard, L.'
'Sinding-Oseroed, L.'
_publ_section_title
;
 Der Isotopeneffekt beim Austausch von Wasserstoff durch Deuterium in
 festem Schwefel- und Selen-Wasserstoff
;
_journal_name_full
;
Avhandlinger utgitt av det Norske Videnskap-Akademi i Oslo, 
Matematisk-Naturvidenskapelig Klasse
;
_journal_page_first              1
_journal_page_last               20
_journal_volume                  1942
_journal_year                    1942
_chemical_formula_sum            'D2 Se'
_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            4
_cell_length_a                   5.973
_cell_length_b                   5.973
_cell_length_c                   5.973
_cell_volume                     213.097
_citation_journal_id_ASTM        AUNVAW
_cod_data_source_file            Vegard_AUNVAW_1942_130.cif
_cod_data_source_block           D2Se1
_cod_original_cell_volume        213.0971
_cod_original_formula_sum        'D2 Se1'
_cod_database_code               1539482
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
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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
-y,x,-z
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z,x,-y
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z,-x,y
x,z,y
-y,-z,-x
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y,-z,x
z,y,x
y,z,-x
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z,-y,-x
x,y+1/2,z+1/2
-y,x+1/2,z+1/2
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x,-y+1/2,-z+1/2
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z,x+1/2,y+1/2
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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
D1 D+1 0.25 0.25 0.25 1 0.0
Se1 Se-2 0 0 0 1 0.0
