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#$Date: 2015-10-09 16:50:31 +0200 (Fri 09 de Oct de 2015) $
#$Revision: 162312 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/51/1535121.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_1535121
loop_
_publ_author_name
'Stahl, K.'
'Balic-Zunic, T.'
'Fehrmann, R.'
'da Silva, F.'
'Eriksen, K.M.'
'Berg, R.W.'
_publ_section_title
;
 The crystal structure determinations and refinements of K2 S2 O7, K Na S2
 O7, and Na2 S2 O7 from X-ray powder diffraction and single-crystal data
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              1697
_journal_page_last               1704
_journal_volume                  178
_journal_year                    2005
_chemical_formula_sum            'Na2 O7 S2'
_chemical_name_systematic        'Na2 S2 O7'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                116.779
_cell_angle_beta                 96.089
_cell_angle_gamma                84
_cell_formula_units_Z            2
_cell_length_a                   6.7702
_cell_length_b                   6.7975
_cell_length_c                   6.7292
_cell_volume                     274.346
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Stahl_JSSCBI_2005_1003.cif
_cod_data_source_block           Na2O7S2
_cod_original_cell_volume        274.3459
_cod_database_code               1535121
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-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
S2 S+6 0.36052 0.31296 0.13955 1 0.0
Na1 Na+1 0.13493 -0.18115 0.77174 1 0.0
O1 O-2 0.0084 -0.2948 0.3801 1 0.0
S1 S+6 0.15765 -0.25422 0.2673 1 0.0
O3 O-2 -0.0823 0.1517 -0.1269 1 0.0
O6 O-2 0.2413 0.2864 0.2894 1 0.0
O4 O-2 -0.2417 0.4899 -0.0852 1 0.0
O2 O-2 -0.3246 0.1519 0.5817 1 0.0
O5 O-2 -0.3599 -0.1375 0.0835 1 0.0
Na2 Na+1 -0.33657 -0.24239 0.38605 1 0.0
O7 O-2 0.4463 0.6074 0.7653 1 0.0
