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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/4/03/16/4031646.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_4031646
loop_
_publ_author_name
'Ellert, G.V.'
'Kuz'micheva, G.M.'
'Slovyanskikh, V.K.'
'Eliseev, A.A.'
'Morozov, S.P.'
_publ_section_title
;
 Morphological and structural investigations of crystals of uranium
 chalcogenides
;
_journal_name_full
;
Russian Journal of Inorganic Chemistry (= Zhurnal Neorganicheskoi Khimii)
;
_journal_page_first              1548
_journal_page_last               1551
_journal_volume                  19
_journal_year                    1974
_chemical_formula_sum            'S2 U'
_chemical_name_systematic        'U S2'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.06
_cell_length_b                   4.12
_cell_length_c                   8.47
_cell_volume                     246.369
_citation_journal_id_ASTM        RJICAQ
_cod_data_source_file            Ellert_RJICAQ_1974_1804.cif
_cod_data_source_block           S2U1
_cod_original_cell_volume        246.3686
_cod_original_formula_sum        'S2 U1'
_cod_database_code               4031646
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z+1/2
-x,y+1/2,-z
-x,-y,-z
x-1/2,y,-z-1/2
-x-1/2,y-1/2,z-1/2
x,-y-1/2,z
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
S2 S-2 0.032 0.25 0.667 1 0.0
U1 U+4 0.25 0.25 0.877 1 0.0
S1 S-2 0.135 0.25 0.929 1 0.0
