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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/31/08/2310820.cif $
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#
# 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_2310820
loop_
_publ_author_name
'Bleif, H.J.'
'Dachs, H.'
_publ_section_title
;
 Crystalline modifications and structural phase transitions of Na O H and
 Na O D
;
_journal_name_full               'Acta Crystallographica A (24,1968-38,1982)'
_journal_page_first              470
_journal_page_last               476
_journal_volume                  38
_journal_year                    1982
_chemical_formula_sum            'H Na O'
_chemical_name_systematic        'Na (O H)'
_space_group_IT_number           11
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 109.9
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   3.345
_cell_length_b                   3.445
_cell_length_c                   6.08
_cell_volume                     65.879
_citation_journal_id_ASTM        ACACBN
_cod_data_source_file            Bleif_ACACBN_1982_523.cif
_cod_data_source_block           H1Na1O1
_cod_original_cell_volume        65.87943
_cod_original_formula_sum        'H1 Na1 O1'
_cod_database_code               2310820
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z
-x,-y,-z
x,-y-1/2,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
O1 O-2 0.4 0.25 0.236 1 0.0
H1 H+1 0.462 0.25 0.389 1 0.0
Na1 Na+1 0.141 0.25 -0.179 1 0.0