#------------------------------------------------------------------------------
#$Date: 2016-04-05 09:52:44 +0200 (mar 05 de abr de 2016) $
#$Revision: 181516 $
#$URL: svn://www.crystallography.net/cod/cif/2/31/09/2310993.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2310993
loop_
_publ_author_name
'Zachariasen, W. H.'
_publ_section_title
;
 Crystal chemical studies of the 5f-series of elements. X. Sulfides and
 oxy-sulfides
;
_journal_coden_ASTM              ACCRA9
_journal_issue                   5
_journal_name_full               'Acta Crystallographica'
_journal_page_first              291
_journal_page_last               296
_journal_paper_doi               10.1107/s0365110x49000758
_journal_volume                  2
_journal_year                    1949
_chemical_formula_sum            'S3 U2'
_chemical_name_systematic        'U2 S3'
_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                   10.41
_cell_length_b                   3.89
_cell_length_c                   10.65
_cell_volume                     431.271
_cod_data_source_file            Zachariasen_ACCRA9_1949_1798.cif
_cod_data_source_block           S3U2
_cod_original_cell_volume        431.2707
_cod_database_code               2310993
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
S1 S 0.878 0.25 0.053 1 0.0
S2 S 0.561 0.25 0.871 1 0.0
S3 S 0.206 0.25 0.23 1 0.0
U1 U 0.311 0.25 0.014 1 0.0
U2 U 0.508 0.25 0.695 1 0.0
