#------------------------------------------------------------------------------
#$Date: 2018-09-27 07:13:35 +0300 (Thu, 27 Sep 2018) $
#$Revision: 211196 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/53/85/1538549.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_1538549
loop_
_publ_author_name
'Sandor, E.'
'Ogunade, S.O.'
_publ_section_title
;
 Structure and Phase Transition in Solid Hydrogen and Deuterium sulphides
;
_journal_name_full               'Nature (London)'
_journal_page_first              905
_journal_page_last               907
_journal_volume                  224
_journal_year                    1969
_chemical_formula_sum            'H2 S'
_space_group_IT_number           136
_symmetry_space_group_name_Hall  '-P 4n 2n'
_symmetry_space_group_name_H-M   'P 42/m n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.754
_cell_length_b                   6.754
_cell_length_c                   4.11
_cell_volume                     187.484
_citation_journal_id_ASTM        NATUAS
_cod_data_source_file            Sandor_NATUAS_1969_1624.cif
_cod_data_source_block           H2S1
_cod_original_cell_volume        187.4839
_cod_original_formula_sum        'H2 S1'
_cod_database_code               1538549
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y+1/2,x+1/2,z+1/2
-x,-y,z
y+1/2,-x+1/2,z+1/2
x+1/2,-y+1/2,-z+1/2
y,x,-z
-x+1/2,y+1/2,-z+1/2
-y,-x,-z
-x,-y,-z
y-1/2,-x-1/2,-z-1/2
x,y,-z
-y-1/2,x-1/2,-z-1/2
-x-1/2,y-1/2,z-1/2
-y,-x,z
x-1/2,-y-1/2,z-1/2
y,x,z
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
_atom_site_attached_hydrogens
S1 S-2 0.221 0.221 0 1 0.0 2
