#------------------------------------------------------------------------------
#$Date: 2015-09-28 14:10:23 +0100 (Mon, 28 Sep 2015) $
#$Revision: 158639 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/26/1532683.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_1532683
loop_
_publ_author_name
'Laitinen, R.'
'Niinisto, L.'
'Steudel, R.'
_publ_section_title
;
 Structural Studies on the Sulfur-Selenium Binary System
;
_journal_name_full
'Acta Chemica Scandinavica, Series A: (28,1974-)'
_journal_page_first              737
_journal_page_last               747
_journal_volume                  33
_journal_year                    1979
_chemical_formula_sum            'S4.11 Se3.89'
_chemical_name_systematic        'S4 Se4'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.97
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.75
_cell_length_b                   9.139
_cell_length_c                   11.36
_cell_volume                     908.286
_citation_journal_id_ASTM        ACAPCT
_cod_data_source_file            Laitinen_ACAPCT_1979_293.cif
_cod_data_source_block           S4.11Se3.89
_cod_cif_authors_sg_Hall         '-P 2ybc (x-z,y,z)'
_cod_original_cell_volume        908.2864
_cod_database_code               1532683
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,y+1/2,-z+1/2
-x,-y,-z
x-1/2,-y-1/2,z-1/2
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
S7 S 0.0749 0.8344 0.1404 0.6 0.0
Se4 Se 0.1268 0.4016 0.1383 0.57 0.0
Se7 Se 0.0749 0.8344 0.1404 0.4 0.0
Se1 Se 0.6304 0.3133 0.0486 0.55 0.0
S6 S 0.6838 0.6413 0.4636 0.56 0.0
Se3 Se 0.9192 0.4709 0.2338 0.53 0.0
S3 S 0.9192 0.4709 0.2338 0.47 0.0
Se2 Se 0.3224 0.5098 0.2412 0.75 0.0
S4 S 0.1268 0.4016 0.1383 0.43 0.0
S8 S 0.0856 0.6915 0.4869 0.63 0.0
S2 S 0.3224 0.5098 0.2412 0.25 0.0
Se6 Se 0.6838 0.6413 0.4636 0.44 0.0
S1 S 0.6304 0.3133 0.0486 0.45 0.0
S5 S 0.8495 0.2714 0.3296 0.72 0.0
Se8 Se 0.0856 0.6915 0.4869 0.37 0.0
Se5 Se 0.8495 0.2714 0.3296 0.28 0.0