#------------------------------------------------------------------------------
#$Date: 2018-09-27 06:13:35 +0200 (jue 27 de sep de 2018) $
#$Revision: 211196 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/26/1532677.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_1532677
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            'S7 Se'
_space_group_IT_number           13
_symmetry_space_group_name_Hall  '-P 2yc'
_symmetry_space_group_name_H-M   'P 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 124.89
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.498
_cell_length_b                   13.134
_cell_length_c                   9.311
_cell_volume                     852.427
_citation_journal_id_ASTM        ACAPCT
_cod_data_source_file            Laitinen_ACAPCT_1979_277.cif
_cod_data_source_block           S7Se1
_cod_original_cell_volume        852.4271
_cod_original_formula_sum        'S7 Se1'
_cod_database_code               1532677
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z+1/2
-x,-y,-z
x,-y,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
S5 S 0.0809 0.798 0.1984 0.82 0.0
Se3 Se 0.7461 0.4427 0.5346 0.31 0.0
S7 S 0.3083 0.8938 0.3504 1 0.0
Se4 Se 0.5839 0.6769 0.3846 0.28 0.0
Se6 Se 0.2437 0.0321 0.2197 0.12 0.0
S4 S 0.5839 0.6769 0.3846 0.72 0.0
Se2 Se 0.8113 0.58 0.4706 0.09 0.0
S8 S 0.1473 0.1284 0.3296 1 0.0
Se1 Se 0.651 0.3448 0.3251 0.05 0.0
S2 S 0.8113 0.58 0.4706 0.91 0.0
S3 S 0.7461 0.4427 0.5346 0.69 0.0
S6 S 0.2437 0.0321 0.2197 0.88 0.0
S1 S 0.651 0.3448 0.3251 0.95 0.0
Se5 Se 0.0809 0.798 0.1984 0.18 0.0
