#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/67/1536773.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_1536773
loop_
_publ_author_name
'Pupp, M.'
'Weiss, J.'
_publ_section_title
;
 Mischkristalle der Zusammensetzung Ten S8-n
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              31
_journal_page_last               36
_journal_volume                  440
_journal_year                    1978
_chemical_formula_sum            'S7 Te'
_chemical_name_systematic        'Te S7'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 94
_cell_angle_gamma                90
_cell_formula_units_Z            6
_cell_length_a                   11.131
_cell_length_b                   11.106
_cell_length_c                   10.847
_cell_volume                     1337.649
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Pupp_ZAACAB_1978_187.cif
_cod_data_source_block           S7Te1
_cod_original_formula_sum        'S7 Te1'
_cod_database_code               1536773
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z+1/2
-x,-y,-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
Te10 Te 0.4854 0.1227 0.8128 0.03 0.0
Te3 Te 0.9511 0.2305 0.9577 0.03 0.0
S7 S 0.2576 0.5294 0.9684 0.97 0.0
Te7 Te 0.3531 0.3652 0.9831 0.04 0.0
Te4 Te 0.9448 0.3213 0.7868 0.04 0.0
S2 S 0.1295 0.1338 0.9735 0.59 0.0
Te12 Te 0.6202 0.1769 0.0986 0.075 0.0
S14 S 0.6328 0.0106 0.1951 0.415 0.0
Te6 Te 0.2576 0.5294 0.9684 0.03 0.0
Te8 Te 0.6841 0.1183 0.0803 0.08 0.0
S4 S 0.9448 0.3213 0.7868 0.96 0.0
S9 S 0.6841 0.1183 0.0803 0.42 0.0
Te9 Te 0.5564 0.0671 0.2197 0.125 0.0
S5 S 0.9896 0.5016 0.8242 0.99 0.0
S6 S 0.1682 0.5256 0.7958 1 0.0
S3 S 0.9511 0.2305 0.9577 0.97 0.0
S16 S 0.5836 0.1884 0.9188 0.46 0.0
Te13 Te 0.6328 0.0106 0.1951 0.085 0.0
S15 S 0.5449 0.057 0.7907 0.48 0.0
S12 S 0.6518 0.1413 0.9091 0.45 0.0
S11 S 0.4854 0.1227 0.8128 0.47 0.0
S10 S 0.5564 0.0671 0.2197 0.375 0.0
Te2 Te 0.1295 0.1338 0.9735 0.41 0.0
S1 S 0.2493 0.2487 0.1151 0.56 0.0
Te14 Te 0.5449 0.057 0.7907 0.02 0.0
Te11 Te 0.6518 0.1413 0.9091 0.05 0.0
S13 S 0.6202 0.1769 0.0986 0.425 0.0
Te1 Te 0.2493 0.2487 0.1151 0.44 0.0
Te5 Te 0.9896 0.5016 0.8242 0.01 0.0
Te15 Te 0.5836 0.1884 0.9188 0.04 0.0
S8 S 0.3531 0.3652 0.9831 0.96 0.0
