#------------------------------------------------------------------------------
#$Date: 2024-05-06 09:39:41 +0200 (Mon, 06 May 2024) $
#$Revision: 291735 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/9/00/98/9009801.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_9009801
loop_
_publ_author_name
'Krauter, T.'
'Neumuller, B.'
_publ_section_title
;
 Reaktionen von diorganogallium(indium)fluoriden.
 Die kristallstrukture von Mes2InF
 Note: known as gamma sulfur
;
_journal_name_full
'Zeitschrift fur Anorganische und Allgemeine Chemie'
_journal_page_first              597
_journal_page_last               606
_journal_paper_doi               10.1002/zaac.19956210417
_journal_volume                  621
_journal_year                    1995
_chemical_compound_source        Synthetic
_chemical_formula_sum            S8
_chemical_name_common            Sulfur-(gamma)
_chemical_name_mineral           Rosickyite
_space_group_IT_number           13
_symmetry_space_group_name_Hall  '-P 2yac'
_symmetry_space_group_name_H-M   'P 1 2/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 112.78
_cell_angle_gamma                90
_cell_length_a                   8.163
_cell_length_b                   13.040
_cell_length_c                   8.386
_cell_formula_units_Z            4
_cell_volume                     823.024
_database_code_amcsd             0015810
_exptl_crystal_density_diffrn    2.070
_cod_database_code               9009801
loop_
_space_group_symop_operation_xyz
x,y,z
1/2-x,y,1/2-z
1/2+x,-y,1/2+z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
S1 0.33000 0.12680 0.68020 0.05150
S2 0.21900 0.02980 0.47410 0.04870
S3 0.34940 -0.10730 0.54000 0.04670
S4 0.19790 -0.20370 0.61770 0.03890
S5 0.61410 0.32260 0.69850 0.03090
S6 0.52710 0.42070 0.83990 0.03520
S7 0.46530 0.55730 0.71040 0.03530
S8 0.67470 0.65510 0.82400 0.04370
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 ChemSpider 59726
2 AMCSD 0015810
