#------------------------------------------------------------------------------
#$Date: 2018-09-27 06:13:35 +0200 (jue 27 de sep de 2018) $
#$Revision: 211196 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/26/1532687.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_1532687
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            'S3 Se5'
_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                 90.76
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.867
_cell_length_b                   9.31
_cell_length_c                   11.456
_cell_volume                     945.630
_citation_journal_id_ASTM        ACAPCT
_cod_data_source_file            Laitinen_ACAPCT_1979_299.cif
_cod_data_source_block           S3Se5
_cod_original_cell_volume        945.6299
_cod_original_sg_symbol_Hall     '-P 2ybc (x-z,y,z)'
_cod_database_code               1532687
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
Se7 Se 0.0739 0.8358 0.1427 0.6 0.0
Se5 Se 0.8479 0.2695 0.3302 0.4 0.0
S1 S 0.63 0.3152 0.0509 0.27 0.0
S3 S 0.9174 0.4712 0.234 0.37 0.0
Se4 Se 0.1271 0.4011 0.1368 0.63 0.0
Se6 Se 0.6832 0.6398 0.4624 0.56 0.0
S5 S 0.8479 0.2695 0.3302 0.6 0.0
S8 S 0.0855 0.6918 0.4849 0.47 0.0
S2 S 0.3211 0.5123 0.2395 0.08 0.0
S7 S 0.0739 0.8358 0.1427 0.4 0.0
S4 S 0.1271 0.4011 0.1368 0.37 0.0
S6 S 0.6832 0.6398 0.4624 0.44 0.0
Se8 Se 0.0855 0.6918 0.4849 0.53 0.0
Se3 Se 0.9174 0.4712 0.234 0.63 0.0
Se2 Se 0.3211 0.5123 0.2395 0.92 0.0
Se1 Se 0.63 0.3152 0.0509 0.73 0.0
