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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/65/2106559.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_2106559
loop_
_publ_author_name
'Messer, D.'
'Breitinger, D.K.'
'Haegler, W.'
_publ_section_title
;
 Hexasodium tetrasulfitopalladate(II) dihydrate, Na6 Pd (S O3)4 (H2 O)2: A
 structure with a pronounced rod packing
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              19
_journal_page_last               23
_journal_volume                  37
_journal_year                    1981
_chemical_formula_sum            'H4 Na6 O14 Pd S4'
_chemical_name_systematic        'Na6 (Pd (S O3)4) (H2 O)2'
_space_group_IT_number           88
_symmetry_space_group_name_Hall  '-I 4ad'
_symmetry_space_group_name_H-M   'I 41/a :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   16.488
_cell_length_b                   16.488
_cell_length_c                   10.663
_cell_volume                     2898.781
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Messer_ACBCAR_1981_28.cif
_cod_data_source_block           H4Na6O14Pd1S4
_cod_original_formula_sum        'H4 Na6 O14 Pd1 S4'
_cod_database_code               2106559
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y+3/4,x+1/4,z+1/4
-x+1/2,-y,z+1/2
y+3/4,-x+3/4,z+3/4
-x,-y,-z
y-3/4,-x-1/4,-z-1/4
x-1/2,y,-z-1/2
-y-3/4,x-3/4,-z-3/4
x+1/2,y+1/2,z+1/2
-y+5/4,x+3/4,z+3/4
-x+1,-y+1/2,z+1
y+5/4,-x+5/4,z+5/4
-x+1/2,-y+1/2,-z+1/2
y-1/4,-x+1/4,-z+1/4
x,y+1/2,-z
-y-1/4,x-1/4,-z-1/4
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
Na3 Na+1 0.3741 0.4482 0.1826 1 0.0
Na1 Na+1 0.3119 0.2303 0.1251 1 0.0
H1 H+1 0.2438 0.4904 0.2831 1 0.0
Na2 Na+1 0.4292 0.0498 0.0908 1 0.0
S1 S+4 0.0567 0.3772 0.1536 1 0.0
O1 O-2 0.079 0.4196 0.0347 1 0.0
S2 S+4 0.1081 0.3401 0.6549 1 0.0
O3 O-2 0.1295 0.3692 0.2352 1 0.0
O4 O-2 0.1493 0.3628 0.5354 1 0.0
Pd1 Pd+2 0 0.25 0.125 1 0.0
O2 O-2 -0.0015 0.4306 0.2215 1 0.0
Pd2 Pd+2 0 0.25 0.625 1 0.0
O6 O-2 0.1697 0.3024 0.7391 1 0.0
O7 O-2 0.2619 0.4934 0.374 1 0.0
O5 O-2 0.0792 0.4148 0.7172 1 0.0
