#------------------------------------------------------------------------------
#$Date: 2024-05-02 13:48:35 +0300 (Thu, 02 May 2024) $
#$Revision: 291455 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/79/9007931.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# 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_9007931
loop_
_publ_author_name
'Wickleder, M. 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_structural     Na2SeO3
_chemical_formula_sum            'Na2 O3 Se'
_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                 91.11
_cell_angle_gamma                90
_cell_length_a                   4.9089
_cell_length_b                   10.0072
_cell_length_c                   6.8535
_cell_formula_units_Z            4
_cell_volume                     336.611
_exptl_crystal_density_diffrn    3.412
_cod_original_formula_sum        'Na2 Se O3'
_cod_database_code               9007931
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x,1/2-y,1/2+z
-x,1/2+y,1/2-z
-x,-y,-z
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Na1 0.01830 0.01740 0.02130 -0.00180 0.00370 0.00410
Na2 0.01590 0.01480 0.02290 -0.00130 0.00110 -0.00360
Se 0.01120 0.00950 0.01360 0.00050 0.00239 -0.00020
O1 0.01310 0.01500 0.02130 0.00000 0.00390 -0.00160
O2 0.01900 0.01300 0.01900 0.00060 0.00350 0.00240
O3 0.01680 0.01600 0.01840 0.00170 0.00490 0.00160
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Na1 0.24310 0.74700 0.41510 0.01900
Na2 0.73970 0.91330 0.65260 0.01790
Se 0.77619 0.91566 0.18757 0.01143
O1 0.75170 1.05670 0.32530 0.01630
O2 0.71520 0.79200 0.35230 0.01690
O3 1.11580 0.89960 0.16450 0.01690
_cod_duplicate_entry 2201317
