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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/4/12/46/4124677.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_4124677
loop_
_publ_author_name
'Ruben, H.'
'Templeton, D.H.'
'Rosenstein, R.D.'
'Olovsson, I.'
_publ_section_title
;
 Crystal structure and entropy of sodium sulfate decahydrate
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              820
_journal_page_last               824
_journal_volume                  83
_journal_year                    1961
_chemical_formula_sum            'H20 Na2 O14 S'
_chemical_name_systematic        'Na2 (S O4) (H2 O)10'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 107.75
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.51
_cell_length_b                   10.38
_cell_length_c                   12.83
_cell_volume                     1459.879
_citation_journal_id_ASTM        JACSAT
_cod_data_source_file            Ruben_JACSAT_1961_1464.cif
_cod_data_source_block           H20Na2O14S1
_cod_original_formula_sum        'H20 Na2 O14 S1'
_cod_database_code               4124677
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z+1/2
-x,-y,-z
x,-y-1/2,z-1/2
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
Na1 Na+1 0.2564 0.7473 0.0155 1 0.0
O3 O-2 0.358 0.336 0.227 1 0.0
O7 O-2 0.101 0.347 0.946 1 0.0
O6 O-2 0.368 0.452 0.88 1 0.0
Na2 Na+1 0.245 0.6135 0.761 1 0.0
S1 S+6 0.2495 0.3591 0.2584 1 0.0
O11 O-2 0.147 0.712 0.144 1 0.0
O8 O-2 0.394 0.347 0.58 1 0.0
O10 O-2 0.388 0.607 0.652 1 0.0
O4 O-2 0.233 0.5 0.273 1 0.0
O9 O-2 0.113 0.607 0.88 1 0.0
O5 O-2 0.124 0.455 0.639 1 0.0
O13 O-2 0.132 0.561 0.444 1 0.0
O12 O-2 0.354 0.714 0.38 1 0.0
O2 O-2 0.141 0.31 0.17 1 0.0
O1 O-2 0.26 0.298 0.361 1 0.0
O14 O-2 0.38 0.557 0.083 1 0.0
