#------------------------------------------------------------------------------
#$Date: 2017-10-13 02:32:00 +0300 (Fri, 13 Oct 2017) $
#$Revision: 201954 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/01/11/1011160.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_1011160
loop_
_publ_author_name
'Warren, B E'
'Burwell, J T'
_publ_section_title              'The structure of rhombic sulphur'
_journal_coden_ASTM              JCPSA6
_journal_name_full               'Journal of Chemical Physics'
_journal_page_first              6
_journal_page_last               8
_journal_paper_doi               10.1063/1.1749557
_journal_volume                  3
_journal_year                    1935
_chemical_compound_source        synthetic
_chemical_formula_structural     S8
_chemical_formula_sum            S8
_chemical_name_common            Sulfur
_chemical_name_mineral           Sulfur
_chemical_name_systematic        'Octasulfur - $-alpha'
_space_group_IT_number           70
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'F 2 2 -1d'
_symmetry_space_group_name_H-M   'F d d d :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            16
_cell_length_a                   10.48
_cell_length_b                   12.92
_cell_length_c                   24.54999
_cell_volume                     3324.1
_exptl_crystal_density_meas      2.04
_cod_original_sg_symbol_H-M      'F d d d S'
_cod_database_code               1011160
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z
1/4-x,1/4-y,1/4-z
1/4+x,1/4-y,1/4+z
x,-y,-z
-x,-y,z
1/4-x,1/4+y,1/4+z
1/4+x,1/4+y,1/4-z
x,1/2+y,1/2+z
1/2+x,y,1/2+z
1/2+x,1/2+y,z
-x,1/2+y,1/2-z
1/2-x,y,1/2-z
1/2-x,1/2+y,-z
1/4-x,3/4-y,3/4-z
3/4-x,1/4-y,3/4-z
3/4-x,3/4-y,1/4-z
1/4+x,3/4-y,3/4+z
3/4+x,1/4-y,3/4+z
3/4+x,3/4-y,1/4+z
x,1/2-y,1/2-z
1/2+x,-y,1/2-z
1/2+x,1/2-y,-z
-x,1/2-y,1/2+z
1/2-x,-y,1/2+z
1/2-x,1/2-y,z
1/4-x,3/4+y,3/4+z
3/4-x,1/4+y,3/4+z
3/4-x,3/4+y,1/4+z
1/4+x,3/4+y,3/4-z
3/4+x,1/4+y,3/4-z
3/4+x,3/4+y,1/4-z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
S1 S0 32 h -0.017 0.083 0.072 1. 0 d
S2 S0 32 h -0.094 0.161 0.2 1. 0 d
S3 S0 32 h -0.167 0.105 0.125 1. 0 d
S4 S0 32 h -0.094 0.028 0.25 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
S0 0.000
loop_
_cod_related_entry_id
_cod_related_entry_code
_cod_related_entry_database
1 59726 ChemSpider