#------------------------------------------------------------------------------
#$Date: 2015-10-09 15:43:38 +0300 (Fri, 09 Oct 2015) $
#$Revision: 162026 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/49/1534944.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_1534944
loop_
_publ_author_name
'Beck, J.'
'Schloerb, T.'
_publ_section_title
;
 Polymers in the form of linked rings - a novel type of structures for
 chalcogen polycations. The crystal structures of (Se4.85 Te3.15) (W O
 Cl4)2 and (Se4 Te3) (W O Cl4)2
;
_journal_name_full
'Phosphorus, Sulfur, Silicon and Related Elements'
_journal_page_first              125
_journal_page_last               305
_journal_volume                  124
_journal_year                    1997
_chemical_formula_sum            'Cl8 O2 Se4.85 Te3.152 W2'
_chemical_name_systematic        '(Se4.85 Te3.152) (W O Cl4)2'
_space_group_IT_number           19
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.821
_cell_length_b                   15.49
_cell_length_c                   18.247
_cell_volume                     2210.575
_citation_journal_id_ASTM        PSSLEC
_cod_data_source_file            Beck_PSSLEC_1997_453.cif
_cod_data_source_block           Cl8O2Se4.85Te3.152W2
_cod_original_cell_volume        2210.574
_cod_database_code               1534944
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
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
W2 W+5 0.38796 0.74182 0.22776 1 0.0
Te2 Te 0.0743 0.89753 0.53124 0.34 0.0
Cl6 Cl-1 0.3388 0.8898 0.2287 1 0.0
O1 O-2 1.1076 0.737 0.2271 1 0.0
Cl3 Cl-1 0.3412 0.7372 0.356 1 0.0
Cl8 Cl-1 0.8394 0.5906 0.2399 1 0.0
Cl2 Cl-1 0.855 0.75 0.3575 1 0.0
Se6 Se 0.5973 0.94395 0.60441 0.36 0.0
Cl7 Cl-1 0.3494 0.5897 0.2294 1 0.0
Te5 Te 0.3966 1.07704 0.56039 0.43 0.0
Cl4 Cl-1 0.8461 0.7328 0.1024 1 0.0
O2 O-2 0.6079 0.7419 0.2301 1 0.0
Te3 Te 0.1149 0.951 0.40394 0.07 0.0
Se3 Se 0.1149 0.951 0.40394 0.93 0.0
Cl1 Cl-1 0.3513 0.7416 0.0999 1 0.0
Se1 Se -0.1146 1.0259 0.5768 0.89 0.0
W1 W+5 0.88819 0.73989 0.2292 1 0.0
Te7 Te 0.5494 0.84275 0.49454 0.08 0.0
Se2 Se 0.0743 0.89753 0.53124 0.66 0.0
Te8 Te 0.6444 0.93925 0.39336 0.62 0.0
Se4 Se 0.3856 1.05445 0.41582 0.14 0.0
Te4 Te 0.3856 1.05445 0.41582 0.86 0.0
Se8 Se 0.6444 0.93925 0.39336 0.38 0.0
Te6 Te 0.5973 0.94395 0.60441 0.64 0.0
Se7 Se 0.5494 0.84275 0.49454 0.92 0.0
Cl5 Cl-1 0.8587 0.8916 0.2255 1 0.0
Se5 Se 0.3966 1.07704 0.56039 0.57 0.0
Te1 Te -0.1146 1.0259 0.5768 0.11 0.0
