#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/67/2106731.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_2106731
loop_
_publ_author_name
'Tarimci, C.'
'Schempp, E.'
_publ_section_title
;
 Sodium chlorite trihydrate
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              2146
_journal_page_last               2149
_journal_volume                  31
_journal_year                    1975
_chemical_formula_sum            'Cl H6 Na O5'
_chemical_name_systematic        'Na (Cl O2) (H2 O)3'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                72.06
_cell_angle_beta                 87.73
_cell_angle_gamma                70.88
_cell_formula_units_Z            2
_cell_length_a                   5.492
_cell_length_b                   6.412
_cell_length_c                   8.832
_cell_volume                     278.921
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Tarimci_ACBCAR_1975_66.cif
_cod_data_source_block           H6Cl1Na1O5
_cod_original_cell_volume        278.9209
_cod_original_formula_sum        'H6 Cl1 Na1 O5'
_cod_database_code               2106731
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
H2 H+1 0.273 0.301 0.734 1 0.0
O2 O-2 0.171 0.1858 0.2991 1 0.0
O5 O-2 0.2987 -0.2524 0.5091 1 0.0
O4 O-2 0.481 0.5981 0.1654 1 0.0
Cl1 Cl+3 0.0944 0.1839 0.1318 1 0.0
O1 O-2 0.8124 0.1766 0.1329 1 0.0
H5 H+1 0.274 0.869 0.452 1 0.0
Na1 Na+1 0.2637 0.4586 0.3956 1 0.0
H4 H+1 0.412 0.663 0.092 1 0.0
H1 H+1 0.182 0.141 0.723 1 0.0
O3 O-2 0.8259 -0.2798 0.3242 1 0.0
H3 H+1 0.434 0.54 0.844 1 0.0
H6 H+1 0.191 0.77 0.573 1 0.0
