#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/67/1536776.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_1536776
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           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                 124.7
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.578
_cell_length_b                   13.386
_cell_length_c                   9.368
_cell_volume                     884.365
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Pupp_ZAACAB_1978_188.cif
_cod_data_source_block           S7Te1
_cod_original_cell_volume        884.3652
_cod_original_formula_sum        'S7 Te1'
_cod_database_code               1536776
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
Te1 Te 0.6631 0.3394 0.3257 0.43 0.0
Te3 Te 0.0808 0.7957 0.1952 0.11 0.0
S7 S 0.2441 0.0392 0.2122 0.77 0.0
S6 S 0.3148 0.8966 0.3535 0.89 0.0
Te4 Te 0.3148 0.8966 0.3535 0.11 0.0
S3 S 0.8112 0.5834 0.4734 1 0.0
S4 S 0.5801 0.6773 0.3834 1 0.0
Te5 Te 0.2441 0.0392 0.2122 0.23 0.0
S5 S 0.0808 0.7957 0.1952 0.89 0.0
S8 S 0.1497 0.1335 0.3317 0.89 0.0
S1 S 0.6631 0.3394 0.3257 0.57 0.0
Te6 Te 0.1497 0.1335 0.3317 0.11 0.0
Te2 Te 0.7527 0.449 0.5437 0.03 0.0
S2 S 0.7527 0.449 0.5437 0.97 0.0
