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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/4/03/12/4031221.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_4031221
loop_
_publ_author_name
'Bartram, S.F.'
'Fryxell, R.E.'
_publ_section_title
;
 Preparation and crystal structure of Na U O3 and Na11 U5 O16
;
_journal_name_full               'Journal of Inorganic and Nuclear Chemistry'
_journal_page_first              3701
_journal_page_last               3706
_journal_volume                  32
_journal_year                    1970
_chemical_formula_sum            'Na O3 U'
_chemical_name_systematic        'Na U O3'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2ab'
_symmetry_space_group_name_H-M   'P b n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.776
_cell_length_b                   5.91
_cell_length_c                   8.283
_cell_volume                     282.750
_citation_journal_id_ASTM        JINCAO
_cod_data_source_file            Bartram_JINCAO_1970_1266.cif
_cod_data_source_block           Na1O3U1
_cod_original_cell_volume        282.7498
_cod_original_sg_symbol_Hall     '-P 2ac 2n (z,x,y)'
_cod_original_formula_sum        'Na1 O3 U1'
_cod_database_code               4031221
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x+1/2,-y+1/2,-z
-x+1/2,y+1/2,-z+1/2
-x,-y,z+1/2
-x,-y,-z
-x-1/2,y-1/2,z
x-1/2,-y-1/2,z-1/2
x,y,-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
O2 O-2 0.73 0.27 0.03 1 0.0
U1 U+5 0.5 0 0 1 0.0
Na1 Na+1 0 0.03 0.25 1 0.0
O1 O-2 0.04 0.48 0.25 1 0.0
