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#$Date: 2015-10-09 22:49:51 +0300 (Fri, 09 Oct 2015) $
#$Revision: 163016 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/55/1535599.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_1535599
loop_
_publ_author_name
'Troyanov, S.I.'
'Zakharov, M.A.'
'Reehuis, M.'
'Kemnitz, E.'
_publ_section_title
;
 Neutron diffraction study of sodium hydrogen selenate Na3 H5 (Se O4)4.
 Comparison with the X-ray diffraction data
;
_journal_name_full               Kristallografiya
_journal_page_first              35
_journal_page_last               39
_journal_volume                  47
_journal_year                    2002
_chemical_formula_sum            'H5 Na3 O16 Se4'
_chemical_name_systematic        'Na3 (H (H Se O4)2) (H Se O4)2'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                104.68
_cell_angle_beta                 91.65
_cell_angle_gamma                105.62
_cell_formula_units_Z            1
_cell_length_a                   5.795
_cell_length_b                   7.229
_cell_length_c                   8.855
_cell_volume                     343.713
_citation_journal_id_ASTM        KRISAJ
_cod_data_source_file            Troyanov_KRISAJ_2002_118.cif
_cod_data_source_block           H5Na3O16Se4
_cod_original_cell_volume        343.7127
_cod_database_code               1535599
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
O5 O-2 0.4222 0.5559 0.1693 1 0.0
O6 O-2 0.1094 0.7572 0.3038 1 0.0
O8 O-2 0.2621 0.5188 0.4454 1 0.0
H2 H+1 0.5 0 0.5 1 0.0
Se1 Se+6 0.2082 0.8588 0.8416 1 0.0
H1 H+1 0.5943 0.8743 0.8581 1 0.0
O3 O-2 0.0294 0.8321 0.6889 1 0.0
Na2 Na+1 0 0 0.5 1 0.0
O2 O-2 0.1208 0.6786 0.9212 1 0.0
Na1 Na+1 0.1941 0.3715 0.9182 1 0.0
Se2 Se+6 0.3325 0.6704 0.3263 1 0.0
O4 O-2 0.4735 0.8469 0.7676 1 0.0
H3 H+1 0.1471 0.3838 0.385 1 0.0
O1 O-2 0.2594 1.0791 0.9646 1 0.0
O7 O-2 0.5614 0.853 0.4321 1 0.0
