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#$Date: 2018-09-27 07:13:35 +0300 (Thu, 27 Sep 2018) $
#$Revision: 211196 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/22/15/7221514.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_7221514
loop_
_publ_author_name
'Steudel, R.'
'Steidel, J.'
'Pickardt, J.'
'Schuster, F.'
_publ_section_title
;
 X-Ray Structure Analyses of Two Allotropes of Cycloheptasulfur
;
_journal_name_full
;
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische 
Chemie (33,1978-41,1986)
;
_journal_page_first              1378
_journal_page_last               1383
_journal_volume                  35
_journal_year                    1980
_chemical_formula_sum            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                 102.08
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.68
_cell_length_b                   7.641
_cell_length_c                   9.409
_cell_volume                     680.525
_citation_journal_id_ASTM        ZNBAD2
_cod_data_source_file            Steudel_ZNBAD2_1980_91.cif
_cod_data_source_block           S7
_cod_database_code               7221514
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
S7 S 0.94255 0.42237 0.25439 1 0.0
S4 S 0.68352 0.58937 0.40265 1 0.0
S5 S 0.93633 0.28026 0.4311 1 0.0
S1 S 0.61914 0.18403 0.45995 1 0.0
S6 S 0.78008 0.62265 0.23659 1 0.0
S3 S 0.77761 0.0919 0.36586 1 0.0
S2 S 0.53478 0.39128 0.33346 1 0.0
