#------------------------------------------------------------------------------
#$Date: 2024-05-02 12:48:35 +0200 (Thu 02 de May de 2024) $
#$Revision: 291455 $
#$URL: svn://www.crystallography.net/cod/cif/9/00/75/9007593.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_9007593
loop_
_publ_author_name
'Watanabe, Y.'
_publ_section_title
;
 The crystal structure of monoclinic gamma-sulfur
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              1396
_journal_page_last               1401
_journal_paper_doi               10.1107/S0567740874004961
_journal_volume                  30
_journal_year                    1974
_chemical_compound_source        Synthetic
_chemical_formula_sum            S8
_chemical_name_mineral           Rosickyite
_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                 124.98
_cell_angle_gamma                90
_cell_length_a                   8.442
_cell_length_b                   13.025
_cell_length_c                   9.356
_cell_formula_units_Z            4
_cell_volume                     842.915
_database_code_amcsd             0009509
_exptl_crystal_density_diffrn    2.021
_cod_database_code               9007593
loop_
_space_group_symop_operation_xyz
x,y,z
x,-y,1/2+z
-x,y,1/2-z
-x,-y,-z
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
S1 0.08780 0.06330 0.06750 0.02990 0.04490 0.01090
S2 0.03850 0.07670 0.05520 -0.00340 0.02600 0.00630
S3 0.05700 0.07570 0.04020 0.00710 0.02990 0.01310
S4 0.05460 0.05500 0.05100 -0.00680 0.03400 -0.00860
S5 0.07170 0.05620 0.06370 0.00260 0.04460 -0.00850
S6 0.07690 0.09320 0.07350 -0.03490 0.05650 -0.02000
S7 0.04290 0.09980 0.06470 0.00350 0.02690 -0.01250
S8 0.11430 0.05680 0.07000 -0.03030 0.05690 -0.02190
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
S1 0.64720 0.34530 0.32360 0.07219
S2 0.80970 0.57940 0.46960 0.05699
S3 0.74570 0.44300 0.53160 0.05699
S4 0.58390 0.67660 0.38390 0.05193
S5 0.08120 0.79790 0.19990 0.06079
S6 0.24230 0.03130 0.22050 0.07346
S7 0.30670 0.89380 0.34990 0.07092
S8 0.14820 0.12750 0.32930 0.07852
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 ChemSpider 59726
2 AMCSD 0009509
