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#$Date: 2017-09-11 16:25:09 +0300 (Mon, 11 Sep 2017) $
#$Revision: 200452 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/01/02/1010251.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_1010251
loop_
_publ_author_name
'West, C D'
_publ_section_title
;
The Crystal Structures of Some Alkali Hydrosulfides and Monosulfides.
;
_journal_coden_ASTM              ZEKGAX
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik,
Kristallchemie (-144,1977)
;
_journal_page_first              97
_journal_page_last               115
_journal_volume                  88
_journal_year                    1934
_chemical_formula_structural     'Na S H'
_chemical_formula_sum            'H Na S'
_chemical_name_systematic        'Sodium hydrogensulfide'
_space_group_IT_number           166
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  '-P 3* 2'
_symmetry_space_group_name_H-M   'R -3 m :R'
_cell_angle_alpha                68.08
_cell_angle_beta                 68.08
_cell_angle_gamma                68.08
_cell_formula_units_Z            1
_cell_length_a                   3.99
_cell_length_b                   3.99
_cell_length_c                   3.99
_cell_volume                     52.6
_exptl_crystal_density_meas      1.79
_cod_original_sg_symbol_H-M      'R -3 m R'
_cod_database_code               1010251
_cod_depositor_comments
;
 Removing dummy H atoms since the hydrogen atoms they represent are already
 marked using the _atom_site_attached_hydrogens data item.

 Antanas Vaitkus,
 2017-09-11
;
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
y,x,z
y,z,x
x,z,y
z,x,y
z,y,x
-x,-y,-z
-y,-x,-z
-y,-z,-x
-x,-z,-y
-z,-x,-y
-z,-y,-x
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
Na1 Na1+ 1 a 0. 0. 0. 1. 0 d
S1 S2- 1 b 0.5 0.5 0.5 1. 1 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
Na1+ 1.000
S2- -2.000