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#$Date: 2024-05-02 13:48:35 +0300 (Thu, 02 May 2024) $
#$Revision: 291455 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/78/9007839.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_9007839
loop_
_publ_author_name
'Morris, R. E.'
'Hriljac, J. A.'
'Cheetham, A. K.'
_publ_section_title
;
 Synthesis and crystal structures of two novel selenites,
 NaY(SeO3)2 and NaLa(SeO3)2
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              2013
_journal_page_last               2017
_journal_paper_doi               10.1107/S0108270190002396
_journal_volume                  46
_journal_year                    1990
_chemical_formula_structural     NaY(SeO3)2
_chemical_formula_sum            'Na O6 Se2 Y'
_space_group_IT_number           33
_symmetry_space_group_name_Hall  'P -2n 2a'
_symmetry_space_group_name_H-M   'P 21 c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.397
_cell_length_b                   8.525
_cell_length_c                   12.765
_cell_formula_units_Z            4
_cell_volume                     587.310
_database_code_amcsd             0010201
_exptl_crystal_density_diffrn    4.137
_cod_original_formula_sum        'Y Se2 Na O6'
_cod_database_code               9007839
_amcsd_formula_title             NaY(SeO3)2
loop_
_space_group_symop_operation_xyz
x,y,z
x,1/2-y,1/2+z
1/2+x,1/2+y,1/2-z
1/2+x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Y1 0.24980 0.17579 0.08508 0.00690
Se1 -0.25310 -0.03055 0.20358 0.00840
Se2 0.20160 0.76504 0.08056 0.00790
Na1 0.21490 0.00690 0.38060 0.01940
O1 -0.02020 0.28370 -0.02530 0.01480
O2 -0.03460 0.54860 0.28580 0.01340
O3 0.62400 0.43540 0.48320 0.01080
O4 0.29860 0.40610 0.17320 0.01160
O5 0.94390 0.12540 0.20180 0.01030
O6 0.50680 0.15040 0.48500 0.01170
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0010201
