#------------------------------------------------------------------------------
#$Date: 2016-02-13 13:50:18 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176428 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/81/1528190.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_1528190
loop_
_publ_author_name
'Weiss, J.'
_publ_section_title
;
 Roentgenographische Untersuchungen an Mischkristallen der Zusammensetzung
 Sen S8-n
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              113
_journal_page_last               118
_journal_volume                  435
_journal_year                    1977
_chemical_formula_sum            'S3.3 Se4.7'
_chemical_name_systematic        'Se4.7 S3.3'
_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                 90.8
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.737
_cell_length_b                   9.104
_cell_length_c                   11.316
_cell_volume                     900.006
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Weiss_ZAACAB_1977_797.cif
_cod_data_source_block           S3.3Se4.7
_cod_original_cell_volume        900.0056
_cod_original_sg_symbol_Hall     '-P 2ybc (x-z,y,z)'
_cod_database_code               1528190
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
Se5 Se 0.9156 0.6916 0.5133 0.44 0.0
Se3 Se 0.3167 0.6404 0.536 0.47 0.0
S6 S 0.8501 0.7287 0.3311 0.27 0.0
Se6 Se 0.8501 0.7287 0.3311 0.73 0.0
Se7 Se 0.918 0.5301 0.2335 0.62 0.0
Se1 Se 0.3229 0.4907 0.2406 0.67 0.0
S7 S 0.918 0.5301 0.2335 0.28 0.0
S2 S 0.4245 0.6657 0.3589 0.55 0.0
Se8 Se 0.1266 0.5992 0.1378 0.69 0.0
S1 S 0.3229 0.4907 0.2406 0.33 0.0
Se2 Se 0.4245 0.6657 0.3589 0.45 0.0
Se4 Se 0.1301 0.8126 0.5491 0.62 0.0
S3 S 0.3167 0.6404 0.536 0.53 0.0
S5 S 0.9156 0.6916 0.5133 0.56 0.0
S4 S 0.1301 0.8126 0.5491 0.38 0.0
S8 S 0.1266 0.5992 0.1378 0.31 0.0
