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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/60/1526030.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_1526030
loop_
_publ_author_name
'Mohana-Rao, J.K.'
_publ_section_title
;
 Room-temperature crystal structure of the ferroelectric sodium
 trideuteroselenite
;
_journal_name_full               Kristallografiya
_journal_page_first              494
_journal_page_last               501
_journal_volume                  17
_journal_year                    1972
_chemical_formula_sum            'D3 Na O6 Se2'
_chemical_name_systematic        'Na D3 (Se O3)2'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 118.4
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.787
_cell_length_b                   4.844
_cell_length_c                   11.794
_cell_volume                     290.822
_citation_journal_id_ASTM        KRISAJ
_cod_data_source_file            Mohana-Rao_KRISAJ_1972_1615.cif
_cod_data_source_block           D3Na1O6Se2
_cod_original_cell_volume        290.8224
_cod_original_formula_sum        'D3 Na1 O6 Se2'
_cod_database_code               1526030
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z+1/2
-x,-y,-z
x,-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 0.181 0.195 0.054 1 0.0
Na1 Na+1 0.5 0 0 1 0.0
Se1 Se+4 0.1628 0.3864 0.1674 1 0.0
O2 O-2 -0.142 0.291 0.144 1 0.0
O3 O-2 0.355 0.213 0.305 1 0.0
