#------------------------------------------------------------------------------
#$Date: 2023-03-26 11:09:57 +0300 (Sun, 26 Mar 2023) $
#$Revision: 282068 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/20/13/2201317.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_2201317
loop_
_publ_author_name
'Wickleder, Mathias S.'
_publ_section_title
;
Sodium selenite, Na₂SeO₃
;
_journal_name_full               'Acta Crystallographica, Section E'
_journal_page_first              i103
_journal_page_last               i104
_journal_paper_doi               10.1107/S1600536802019384
_journal_volume                  58
_journal_year                    2002
_chemical_formula_iupac          'Na2 Se1 O3'
_chemical_formula_moiety         'O3 Se, 2(Na)'
_chemical_formula_sum            'Na2 O3 Se'
_chemical_formula_weight         172.94
_chemical_name_common            'sodium selenite'
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 91.11(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   4.9089(13)
_cell_length_b                   10.0072(15)
_cell_length_c                   6.8535(15)
_cell_measurement_temperature    293(2)
_cell_volume                     336.61(13)
_database_code_amcsd             0010389
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    3.413
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2201317
_amcsd_formula_title             Na2SeO3
loop_
_space_group_symop_operation_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_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_type_symbol
Na1 0.2431(4) 0.7470(3) 0.4151(3) 0.0190(5) Uani d . 1 . . Na
Na2 0.7397(4) 0.9133(3) 0.6526(3) 0.0179(5) Uani d . 1 . . Na
Se1 0.77619(10) 0.91566(6) 0.18757(7) 0.01143(17) Uani d . 1 . . Se
O1 0.7517(7) 1.0567(4) 0.3253(6) 0.0163(8) Uani d . 1 . . O
O2 0.7152(8) 0.7920(4) 0.3523(5) 0.0169(9) Uani d . 1 . . O
O3 1.1158(7) 0.8996(4) 0.1645(5) 0.0169(8) Uani d . 1 . . O
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Na1 O3 4_476 2.347(4) yes
Na1 O3 1_455 2.373(4) yes
Na1 O2 . 2.408(4) yes
Na1 O1 2_645 2.518(5) yes
Na1 O1 3_676 2.650(4) yes
Na1 O2 1_455 2.657(5) yes
Na1 Se1 1_455 3.224(2) no
Na1 Na2 . 3.348(3) no
Na1 Se1 2_645 3.390(3) no
Na1 Se1 4_476 3.400(2) no
Na1 Na2 1_455 3.418(4) no
Na1 Na2 4_475 3.427(3) no
Na2 O3 3_776 2.354(5) yes
Na2 O2 . 2.391(5) yes
Na2 O1 3_676 2.438(4) yes
Na2 O2 4_576 2.473(5) yes
Na2 O1 3_776 2.516(4) yes
Na2 O1 . 2.664(4) yes
Na2 Se1 3_776 3.110(2) no
Na2 Se1 . 3.196(2) no
Na2 Se1 3_676 3.263(2) no
Na2 Se1 4_576 3.306(3) ?
Se1 O3 . 1.685(4) yes
Se1 O1 . 1.703(4) yes
Se1 O2 . 1.705(4) yes
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0010389
