#------------------------------------------------------------------------------
#$Date: 2023-11-12 11:37:04 +0100 (Sun 12 de Nov de 2023) $
#$Revision: 287555 $
#$URL: svn://www.crystallography.net/cod/cif/9/00/81/9008102.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# 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_9008102
loop_
_publ_author_name
'Bedlivy, D.'
'Preisinger, A.'
_publ_section_title
;
 Die kristallstruktur von Na2S*5H2O, Na2Se*5H2O und Na2Te*5H2O
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              131
_journal_page_last               144
_journal_volume                  121
_journal_year                    1965
_chemical_formula_structural     Na2S*5H2O
_chemical_formula_sum            'H10 Na2 O5 S'
_space_group_IT_number           63
_symmetry_space_group_name_Hall  '-C 2c 2'
_symmetry_space_group_name_H-M   'C m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   6.475
_cell_length_b                   12.545
_cell_length_c                   8.655
_cell_volume                     703.036
_cell_formula_units_Z            4
_cod_depositor_comments
;
    Z value inserted to be consistent with given formula
    Renamed water oxygens so that they are recognized as oxygens.
                               miguel
;
_exptl_crystal_density_diffrn    1.588
_cod_original_formula_sum        'Na2 S (O5 H10)'
_cod_database_code               9008102
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1/2+x,1/2+y,z
x,-y,1/2+z
1/2+x,1/2-y,1/2+z
-x,y,1/2-z
1/2-x,1/2+y,1/2-z
-x,y,z
1/2-x,1/2+y,z
x,-y,-z
1/2+x,1/2-y,-z
x,y,1/2-z
1/2+x,1/2+y,1/2-z
-x,-y,1/2+z
1/2-x,1/2-y,1/2+z
-x,-y,-z
1/2-x,1/2-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Na1 0.00000 0.00000 0.00000 0.01900
Na2 0.50000 0.04200 0.75000 0.01900
S 0.00000 0.31300 0.75000 0.01520
O1 0.00000 0.09300 0.25000 0.02153
O2 0.26200 0.12400 0.57000 0.02026
_database_code_amcsd 0010615
