#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/54/00/1540038.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_1540038
loop_
_publ_author_name
'Haas, A.'
'Kasprowski, J.'
'Pryka, M.'
_publ_section_title
;
 Synthese, Strukturen und Eigenschaften von Cl2 Te Se N2 S und (Se2 N2
 S)2(2+) (X S O3(-))2 (X= F, C F3)
;
_journal_name_full               'Chemische Berichte'
_journal_page_first              789
_journal_page_last               792
_journal_volume                  125
_journal_year                    1992
_chemical_formula_sum            'Cl2 N2 S Se Te'
_chemical_name_systematic        '(Cl2 Te) S Se N2'
_space_group_IT_number           61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   8.432
_cell_length_b                   7.939
_cell_length_c                   19.974
_cell_volume                     1337.092
_citation_journal_id_ASTM        CHBEAM
_cod_data_source_file            Haas_CHBEAM_1992_1528.cif
_cod_data_source_block           Cl2N2S1Se1Te1
_cod_original_cell_volume        1337.093
_cod_original_formula_sum        'Cl2 N2 S1 Se1 Te1'
_cod_database_code               1540038
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z
-x,y+1/2,-z+1/2
-x,-y,-z
x-1/2,y,-z-1/2
-x-1/2,y-1/2,z
x,-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
Cl2 Cl-1 0.9418 0.3305 0.5322 1 0.0
Se1 Se+4 0.9928 0.1763 0.7022 1 0.0
Te1 Te+4 0.8951 0.0691 0.5896 1 0.0
Cl1 Cl-1 0.8714 -0.2466 0.6491 1 0.0
N2 N-2 0.1988 0.1279 0.6849 1 0.0
N1 N-2 0.1193 0.0024 0.5686 1 0.0
S1 S-2 0.2517 0.0462 0.6194 1 0.0
