#------------------------------------------------------------------------------
#$Date: 2018-09-27 06:13:35 +0200 (jue 27 de sep de 2018) $
#$Revision: 211196 $
#$URL: svn://www.crystallography.net/cod/cif/7/22/25/7222582.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_7222582
loop_
_publ_author_name
'Boettcher, P.'
'Keller, R.'
_publ_section_title
;
 Die Kristallstruktur des alpha-Na2 S5
;
_journal_name_full
;
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische 
Chemie (33,1978-41,1986)
;
_journal_page_first              577
_journal_page_last               581
_journal_volume                  39
_journal_year                    1984
_chemical_formula_sum            'Na2 S5'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.654
_cell_length_b                   14.51
_cell_length_c                   5.846
_cell_volume                     649.254
_citation_journal_id_ASTM        ZNBAD2
_cod_data_source_file            Boettcher_ZNBAD2_1984_633.cif
_cod_data_source_block           Na2S5
_cod_original_cell_volume        649.2541
_cod_database_code               7222582
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z+1/2
-x,y+1/2,-z
-x,-y,-z
x-1/2,y,-z-1/2
-x-1/2,y-1/2,z-1/2
x,-y-1/2,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
Na2 Na+1 0.05399 0.25 0.80262 1 0.0
S3 S 0.35341 0.25 0.26582 1 0.0
Na1 Na+1 0 0 0 1 0.0
S2 S 0.45747 0.13475 0.10922 1 0.0
S1 S 0.29771 0.10248 -0.16313 1 0.0
