#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/64/2106439.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_2106439
loop_
_publ_author_name
'Sonneveld, E.J.'
'Visser, J.W.'
_publ_section_title
;
 A new modification of sodium hydrogensulphate
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              643
_journal_page_last               645
_journal_volume                  34
_journal_year                    1978
_chemical_formula_sum            'H Na O4 S'
_chemical_name_systematic        'Na H S O4'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 99.49
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.759
_cell_length_b                   7.5
_cell_length_c                   5.147
_cell_volume                     333.492
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Sonneveld_ACBCAR_1978_1098.cif
_cod_data_source_block           H1Na1O4S1
_cod_original_cell_volume        333.4919
_cod_original_sg_symbol_Hall     '-P 2ybc (x-z,y,z)'
_cod_original_formula_sum        'H1 Na1 O4 S1'
_cod_database_code               2106439
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,y+1/2,-z+1/2
-x,-y,-z
x-1/2,-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
O1 O-2 0.338 0.252 0.038 1 0.0
Na1 Na+1 0.201 0.49 0.219 1 0.0
O2 O-2 0.596 0.325 0.967 1 0.0
S1 S+6 0.439 0.277 0.836 1 0.0
O3 O-2 0.365 0.432 0.647 1 0.0
O4 O-2 0.431 0.121 0.673 1 0.0
