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#$Date: 2018-09-27 07:13:35 +0300 (Thu, 27 Sep 2018) $
#$Revision: 211196 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/10/62/2106221.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# 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_2106221
loop_
_publ_author_name
'Vegas, A.'
'Grzechnik, A.'
'Jansen, M.'
'Hanfland, M.'
'Loa, I.'
'Syassen, K.'
_publ_section_title
;
 Reversible phase transitions in Na2 S under pressure: a comparison with
 the cation array in Na2 S O4
;
_journal_name_full               'Acta Crystallographica B (39,1983-)'
_journal_page_first              151
_journal_page_last               156
_journal_volume                  57
_journal_year                    2001
_chemical_formula_sum            'Na2 S'
_space_group_IT_number           194
_symmetry_space_group_name_Hall  '-P 6c 2c'
_symmetry_space_group_name_H-M   'P 63/m m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   4.4269
_cell_length_b                   4.4269
_cell_length_c                   5.815
_cell_volume                     98.692
_citation_journal_id_ASTM        ASBSDK
_cod_data_source_file            Vegas_ASBSDK_2001_910.cif
_cod_data_source_block           Na2S1
_cod_original_cell_volume        98.69151
_cod_original_formula_sum        'Na2 S1'
_cod_database_code               2106221
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x-y,x,z+1/2
-y,x-y,z
-x,-y,z+1/2
-x+y,-x,z
y,-x+y,z+1/2
-y,-x,-z+1/2
x-y,-y,-z
x,x-y,-z+1/2
y,x,-z
-x+y,y,-z+1/2
-x,-x+y,-z
-x,-y,-z
-x+y,-x,-z-1/2
y,-x+y,-z
x,y,-z-1/2
x-y,x,-z
-y,x-y,-z-1/2
y,x,z-1/2
-x+y,y,z
-x,-x+y,z-1/2
-y,-x,z
x-y,-y,z-1/2
x,x-y,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
S1 S-2 0.3333 0.6667 0.25 1 0.0
Na1 Na+1 0 0 0 1 0.0
Na2 Na+1 0.3333 0.6667 0.75 1 0.0
